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trans-1-Methoxy-3-trimethylsiloxy-1,3-butadiene

trans-1-Methoxy-3-trimethylsiloxy-1,3-butadiene - CAS 54125-02-9

Name: trans-1-Methoxy-3-trimethylsiloxy-1,3-butadiene
Brand: BOC Sciences
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Catalog:	BB028511
Product Name:	trans-1-Methoxy-3-trimethylsiloxy-1,3-butadiene
CAS:	54125-02-9
Synonyms:	[(3E)-4-methoxybuta-1,3-dien-2-yl]oxy-trimethylsilane

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Computed Properties

IUPAC Name:	[(3E)-4-methoxybuta-1,3-dien-2-yl]oxy-trimethylsilane
Description:	trans-1-Methoxy-3-trimethylsiloxy-1,3-butadiene (CAS# 54125-02-9) is a useful research chemical compound.
Molecular Weight:	172.30
Molecular Formula:	C8H16O2Si
Canonical SMILES:	COC=CC(=C)O[Si](C)(C)C
InChI:	InChI=1S/C8H16O2Si/c1-8(6-7-9-2)10-11(3,4)5/h6-7H,1H2,2-5H3/b7-6+
InChI Key:	SHALBPKEGDBVKK-VOTSOKGWSA-N
Boiling Point:	181.7 °C at 760 mmHg
Density:	0.89 g/cm³
Appearance:	Colorless to yellow liquid
MDL:	MFCD00008498
LogP:	2.51170

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Related Functional Groups

Oxygen Compounds

[134769-80-5]C11H16O2
3-Methylphenylacetaldehyde dimethyl acetal
[5333-45-9]C10H14O4
1,2,3,5-Tetramethoxybenzene
[1281984-38-0]C8H10N4O4
1-Cyclopentyl-3,5-dinitro-1H-pyrazole
[5416-55-7]C10H20O5
2,2,6,6-Tetrakis(hydroxymethyl)cyclohexanol
[2091593-59-6]C9H10F3NO
3-methoxy-6-methyl-2-(trifluoromethyl)aniline
[2170450-99-2]C16H12N2O2S
4-Methyl-1-(phenylsulfonyl)-1H-indole-2-carbonitrile

GHS Hazard Statement:	H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
Precautionary Statement:	P210, P233, P240, P241, P242, P243, P264, P280, P302+P352, P303+P361+P353, P305+P351+P338, P321, P332+P313, P337+P313, P362, P370+P378, P403+P235, and P501
Signal Word:	Warning

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PMID	Publication Date	Title	Journal
22424074	20120328	Cationic iron(III) porphyrin-catalyzed [4 + 2] cycloaddition of unactivated aldehydes with simple dienes	Journal of the American Chemical Society
22296114	20120217	An approach to aminonaphthoquinone ansamycins using a modified Danishefsky diene	Organic letters
21590823	20110627	The stepwise Diels-Alder reaction of 4-nitrobenzodifuroxan with Danishefsky's diene	Chemistry (Weinheim an der Bergstrasse, Germany)
20965735	20101115	Synthesis and SAR studies of chiral non-racemic dexoxadrol analogues as uncompetitive NMDA receptor antagonists	Bioorganic & medicinal chemistry
20939521	20101105	Rapid synthesis of carbohydrate derivatives, including mimetics of C-linked disaccharides and C-linked aza disaccharides, using the hetero-Diels-Alder reaction	The Journal of organic chemistry

Complexity:	156
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	1
Exact Mass:	172.091956283
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	172.091956283
Rotatable Bond Count:	4
Topological Polar Surface Area:	18.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0