2-Methyl-1-hexen-3-yne - CAS 23056-94-2

Catalog:	BB017893
Product Name:	2-Methyl-1-hexen-3-yne
CAS:	23056-94-2
Synonyms:	2-methylhex-1-en-3-yne

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Computed Properties

IUPAC Name:	2-methylhex-1-en-3-yne
Description:	2-Methyl-1-hexen-3-yne (CAS# 23056-94-2 ) is a useful research chemical.
Molecular Weight:	94.15
Molecular Formula:	C7H10
Canonical SMILES:	CCC#CC(=C)C
InChI:	InChI=1S/C7H10/c1-4-5-6-7(2)3/h2,4H2,1,3H3
InChI Key:	IXPWKHNDQICVPZ-UHFFFAOYSA-N
Boiling Point:	103 °C
Density:	0.75 g/cm³
MDL:	MFCD00041629
LogP:	1.97590

Publication Number	Title	Priority Date
WO-2020252342-A2	Copper halide layers	20190612
EP-3400250-A1	Process for preparing graft copolymer comprising polyethylene	20160105
EP-3400255-A1	Process for preparing graft copolymer comprising polyethylene	20160105
WO-2017118616-A1	Process for preparing graft copolymer comprising polyethylene	20160105
WO-2017153058-A1	Process for preparing graft copolymer comprising polyethylene	20160105

PMID	Publication Date	Title	Journal
11703115	20011119	Formation study and X-ray structures of dinuclear beta-diketonate copper(I) complexes with conjugated ene-yne Lewis base. Implications for the use of (hfac)Cu(MHY) as a precursor for copper CVD	Inorganic chemistry

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GHS Hazard Statement:	H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]
Precautionary Statement:	P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501
Signal Word:	Danger

Complexity:	118
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	94.078250319
Formal Charge:	0
Heavy Atom Count:	7
Hydrogen Bond Acceptor Count:	0
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	94.078250319
Rotatable Bond Count:	1
Topological Polar Surface Area:	0 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.9