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1-tert-Butyl-1-cyclohexene

1-tert-Butyl-1-cyclohexene - CAS 3419-66-7

Catalog:	BB022000
Product Name:	1-tert-Butyl-1-cyclohexene
CAS:	3419-66-7
Synonyms:	1-tert-butylcyclohexene

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	1-tert-butylcyclohexene
Description:	1-tert-Butyl-1-cyclohexene (CAS# 3419-66-7 ) is a useful research chemical.
Molecular Weight:	138.25
Molecular Formula:	C10H18
Canonical SMILES:	CC(C)(C)C1=CCCCC1
InChI:	InChI=1S/C10H18/c1-10(2,3)9-7-5-4-6-8-9/h7H,4-6,8H2,1-3H3
InChI Key:	GQBKAYONUCKYKT-UHFFFAOYSA-N
Boiling Point:	168.9 °C at 760 mmHg
Density:	0.83 g/cm³
MDL:	MFCD00010375
LogP:	3.53290

Publication Number	Title	Priority Date
US-2020032092-A1	Conductive ink compositions and methods for preparation of stabilized metal-containing nanoparticles	20180724
US-10752797-B2	Conductive ink compositions and methods for preparation of stabilized metal-containing nanoparticles	20180724
US-2020369676-A1	Heterocyclic compound, application thereof and pharmaceutical composition comprising same	20180214
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US-2020308137-A1	Pyrazine-4-Carbamate or -Urea Derivatives As Herbicides	20170922

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Related Functional Groups

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GHS Hazard Statement:	H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
Precautionary Statement:	P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501
Signal Word:	Warning

Complexity:	135
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	138.140850574
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	0
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	138.140850574
Rotatable Bond Count:	1
Topological Polar Surface Area:	0 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.7