Structure

2-Methyl-1,5-hexadiene

CAS
4049-81-4
Catalog Number
ACM4049814
Category
Alkenes
Molecular Weight
96.17
Molecular Formula
C7H10O

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Specification

Synonyms
2-Methyldiallyl, 2-METHYL-1,5-HEXADIENE, 1,5-Hexadiene, 2-methyl-, sym-Vinylisopropenylethane, 2-Methylhexa-1,5-diene, 557358_ALDRICH, NSC66540, MolPort-003-936-727, CID19965, EINECS 223-751-8, M0339, 4049-81-4, 27477-37-8
IUPAC Name
2-methylhexa-1,5-diene
Canonical SMILES
CC(=C)CCC=C
InChI Key
SLQMKNPIYMOEGB-UHFFFAOYSA-N
Boiling Point
87ºC at 760mmHg
Density
0.717g/cm³
EC Number
223-751-8
Exact Mass
96.09390
Hazard Statements
H228
H-Bond Acceptor
0
H-Bond Donor
0
RIDADR
UN 3295BF 3 / PGII
Safety Description
16-29-33
Symbol
GHS02
What is the molecular formula of 2-Methyl-1,5-hexadiene?

The molecular formula of 2-Methyl-1,5-hexadiene is C7H12.

What is the molecular weight of 2-Methyl-1,5-hexadiene?

The molecular weight of 2-Methyl-1,5-hexadiene is 96.17 g/mol.

What is the IUPAC name of 2-Methyl-1,5-hexadiene?

The IUPAC name of 2-Methyl-1,5-hexadiene is 2-methylhexa-1,5-diene.

What is the InChI of 2-Methyl-1,5-hexadiene?

The InChI of 2-Methyl-1,5-hexadiene is InChI=1S/C7H12/c1-4-5-6-7(2)3/h4H,1-2,5-6H2,3H3.

What is the InChIKey of 2-Methyl-1,5-hexadiene?

The InChIKey of 2-Methyl-1,5-hexadiene is SLQMKNPIYMOEGB-UHFFFAOYSA-N.

What is the canonical SMILES of 2-Methyl-1,5-hexadiene?

The canonical SMILES of 2-Methyl-1,5-hexadiene is CC(=C)CCC=C.

What is the CAS number of 2-Methyl-1,5-hexadiene?

The CAS number of 2-Methyl-1,5-hexadiene is 4049-81-4.

What is the XLogP3-AA value of 2-Methyl-1,5-hexadiene?

The XLogP3-AA value of 2-Methyl-1,5-hexadiene is 3.1.

How many rotatable bonds does 2-Methyl-1,5-hexadiene have?

2-Methyl-1,5-hexadiene has 3 rotatable bonds.

What is the topological polar surface area of 2-Methyl-1,5-hexadiene?

The topological polar surface area of 2-Methyl-1,5-hexadiene is 0Ų.

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