(E)-2,5-Dimethyl-1,6-octadiene

Compound Structure:

Synonyms:

(E)-2,5-Dimethyl-1,6-octadiene;(6E)-2,5-Dimethyl-1,6-octadiene;1,6-Octadiene, 2,5-dimethyl-, (E)-

Compound ID:

NMPC-035

PubChem ID:

5362878

Molecular Formula:

C10H18

Canonical SMILES:

CC=CC(C)CCC(=C)C

InChIKey:

FBNUSKGBPHDTRX-AATRIKPKSA-N

About the compound:

This compound has a linear carbon backbone that's eight carbons long. There are double bonds between the 1st and 2nd carbons and between the 6th and 7th carbons. Additionally, there are methyl groups attached to the 2nd and 5th carbons. The "(E)" designation before the compound's name indicates the geometric configuration of the molecule; in this case, it refers to the trans configuration of the double bond.

Properties:

Chemical and Physical Properties

Property Name	Property Value
Molecular Weight	138.25 g/mol
XLogP3-AA	4.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	4
Exact Mass	138.140850574 g/mol
Monoisotopic Mass	138.140850574 g/mol
Topological Polar Surface Area	0Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	120
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Source: PubChem

Source Species:

Greenwayodendron suaveolens

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