3-Methyl-1,4-pentadiene - CAS 1115-08-8

Catalog:	BB002772
Product Name:	3-Methyl-1,4-pentadiene
CAS:	1115-08-8
Synonyms:	3-methylpenta-1,4-diene

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Computed Properties

IUPAC Name:	3-methylpenta-1,4-diene
Description:	3-Methyl-1,4-pentadiene (CAS# 1115-08-8 ) is a useful research chemical.
Molecular Weight:	82.14
Molecular Formula:	C6H10
Canonical SMILES:	CC(C=C)C=C
InChI:	InChI=1S/C6H10/c1-4-6(3)5-2/h4-6H,1-2H2,3H3
InChI Key:	IKQUUYYDRTYXAP-UHFFFAOYSA-N
Boiling Point:	54.6 °C at 760 mmHg
Density:	0.673 g/mL at 25 °C(lit.)
MDL:	MFCD00008634
LogP:	1.99450

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Related Functional Groups

Alkenes

[35153-16-3]
(Z)-10-Tetradecenyl Acetate
[497-06-3]
3,4-Dihydroxy-1-butene
[116-04-1]
β-Humulene
[762-62-9]
4,4-Dimethyl-1-pentene
[1552-12-1]
cis,cis-1,5-Cyclooctadiene
[13360-81-1]
exo-5-Norbornene-2-methanol

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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, P264, P280, P302+P352, P303+P361+P353, P321, P332+P313, P362, P370+P378, P403+P235, and P501
Signal Word:	Danger

Complexity:	45.1
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	82.078250319
Formal Charge:	0
Heavy Atom Count:	6
Hydrogen Bond Acceptor Count:	0
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	82.078250319
Rotatable Bond Count:	2
Topological Polar Surface Area:	0 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.5