[(1E,3Z)-3-methylhexa-1,3,5-trienyl]benzene

C13H14 — CID 165151781

IUPAC[(1E,3Z)-3-methylhexa-1,3,5-trienyl]benzene
SMILESC=C/C=C(C)\C=C\c1ccccc1
InChIInChI=1S/C13H14/c1-3-7-12(2)10-11-13-8-5-4-6-9-13/h3-11H,1H2,2H3/b11-10+,12-7-
InChIKeyRWFMZIJNTOINQO-RFWXHOBXSA-N
MW170.25 g/mol
LogP3.83
Rot. Bonds3

About [(1E,3Z)-3-methylhexa-1,3,5-trienyl]benzene

[(1E,3Z)-3-methylhexa-1,3,5-trienyl]benzene (PubChem CID 165151781) has the molecular formula C13H14 and a molecular weight of 170.25 g/mol. Its IUPAC name is [(1E,3Z)-3-methylhexa-1,3,5-trienyl]benzene.

Molecular Properties

Compound Name[(1E,3Z)-3-methylhexa-1,3,5-trienyl]benzene
PubChem CID165151781
Molecular FormulaC13H14
Molecular Weight170.25 g/mol
Exact Mass170.11
IUPAC Name[(1E,3Z)-3-methylhexa-1,3,5-trienyl]benzene
SMILESC=C/C=C(C)\C=C\c1ccccc1
InChIInChI=1S/C13H14/c1-3-7-12(2)10-11-13-8-5-4-6-9-13/h3-11H,1H2,2H3/b11-10+,12-7-
InChIKeyRWFMZIJNTOINQO-RFWXHOBXSA-N
XLogP3.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

[(1E,3E,5Z)-3-methylocta-1,3,5,7-tetraenyl]benzene
CID 143083537
(3-methyl-6-phenylhexa-1,3,5-trienyl)benzene
CID 618811
(1Z,3Z)-N,2-dimethyl-4-phenylbuta-1,3-dien-1-amine
CID 166740915
(4E)-3-methyl-5-phenylpenta-2,4-dienoic acid
CID 774941
N-[(1E,3Z,5Z)-4-methyl-6-phenylhexa-1,3,5-trienyl]aniline
CID 143914074
[(1Z,3E,4Z)-3-prop-2-enylidenehepta-1,4-dienyl]benzene
CID 155701401
(2E)-2-[(E)-2-phenylethenyl]penta-2,4-dienenitrile
CID 167178537
methyl 2-methylprop-2-enoate;3-(2-phenylethenyl)hexa-1,3,5-trienylbenzene
CID 88501534
4-methylpenta-1,3-dienylbenzene
CID 3614395
[(1E,3Z)-2-methylhexa-1,3,5-trienyl]benzene
CID 143291688
(4E)-1,5-diphenylpenta-1,4-dien-3-one;propan-2-one
CID 158678637
1-[(1E,3E,5Z)-3,6-dimethylocta-1,3,5,7-tetraenyl]-4-methylbenzene;ethane
CID 142174237

Frequently Asked Questions

What is the IUPAC name of [(1E,3Z)-3-methylhexa-1,3,5-trienyl]benzene?
The IUPAC name of [(1E,3Z)-3-methylhexa-1,3,5-trienyl]benzene (CID 165151781) is [(1E,3Z)-3-methylhexa-1,3,5-trienyl]benzene.
What is the SMILES notation for [(1E,3Z)-3-methylhexa-1,3,5-trienyl]benzene?
The canonical SMILES for [(1E,3Z)-3-methylhexa-1,3,5-trienyl]benzene is C=C/C=C(C)\C=C\c1ccccc1.
What is the InChIKey of [(1E,3Z)-3-methylhexa-1,3,5-trienyl]benzene?
The InChIKey is RWFMZIJNTOINQO-RFWXHOBXSA-N. The full InChI is InChI=1S/C13H14/c1-3-7-12(2)10-11-13-8-5-4-6-9-13/h3-11H,1H2,2H3/b11-10+,12-7-.
What are the key properties of [(1E,3Z)-3-methylhexa-1,3,5-trienyl]benzene?
[(1E,3Z)-3-methylhexa-1,3,5-trienyl]benzene has a molecular weight of 170.25 g/mol, XLogP of 3.83, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(1E,3Z)-3-methylhexa-1,3,5-trienyl]benzene is sourced from PubChem (CID 165151781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).