[(1E,4Z)-6-methyl-3-methylidenehepta-1,4,6-trienyl]benzene

C15H16 — CID 142883812

IUPAC[(1E,4Z)-6-methyl-3-methylidenehepta-1,4,6-trienyl]benzene
SMILESC=C(C)/C=C\C(=C)/C=C/c1ccccc1
InChIInChI=1S/C15H16/c1-13(2)9-10-14(3)11-12-15-7-5-4-6-8-15/h4-12H,1,3H2,2H3/b10-9-,12-11+
InChIKeyWYMQILKJXAVEPR-XAZJVICWSA-N
MW196.29 g/mol
LogP4.39
Rot. Bonds4

About [(1E,4Z)-6-methyl-3-methylidenehepta-1,4,6-trienyl]benzene

[(1E,4Z)-6-methyl-3-methylidenehepta-1,4,6-trienyl]benzene (PubChem CID 142883812) has the molecular formula C15H16 and a molecular weight of 196.29 g/mol. Its IUPAC name is [(1E,4Z)-6-methyl-3-methylidenehepta-1,4,6-trienyl]benzene.

Molecular Properties

Compound Name[(1E,4Z)-6-methyl-3-methylidenehepta-1,4,6-trienyl]benzene
PubChem CID142883812
Molecular FormulaC15H16
Molecular Weight196.29 g/mol
Exact Mass196.13
IUPAC Name[(1E,4Z)-6-methyl-3-methylidenehepta-1,4,6-trienyl]benzene
SMILESC=C(C)/C=C\C(=C)/C=C/c1ccccc1
InChIInChI=1S/C15H16/c1-13(2)9-10-14(3)11-12-15-7-5-4-6-8-15/h4-12H,1,3H2,2H3/b10-9-,12-11+
InChIKeyWYMQILKJXAVEPR-XAZJVICWSA-N
XLogP4.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 54.39
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

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CID 157125853
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2-methylprop-1-ene;prop-1-enylbenzene
CID 159398711
N-(4-phenylbuta-1,3-dien-2-yl)hydroxylamine
CID 5080488
[(1Z)-3-methoxybuta-1,3-dienyl]benzene
CID 24972289
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CID 145291753
2-chloroethenylbenzene;2-methylprop-1-ene
CID 174753636
(4E)-1,5-diphenylpenta-1,4-dien-3-one;propan-2-one
CID 158678637
[(1E,3Z)-3-methylhexa-1,3,5-trienyl]benzene
CID 165151781
(NE)-N-(4-phenylbut-3-en-2-ylidene)hydroxylamine
CID 6738838
(E)-[(Z)-4-phenylbut-3-en-2-ylidene]hydrazine
CID 92531836
4-[(1E)-3-methylbuta-1,3-dienyl]benzenethiol
CID 142934935

Frequently Asked Questions

What is the IUPAC name of [(1E,4Z)-6-methyl-3-methylidenehepta-1,4,6-trienyl]benzene?
The IUPAC name of [(1E,4Z)-6-methyl-3-methylidenehepta-1,4,6-trienyl]benzene (CID 142883812) is [(1E,4Z)-6-methyl-3-methylidenehepta-1,4,6-trienyl]benzene.
What is the SMILES notation for [(1E,4Z)-6-methyl-3-methylidenehepta-1,4,6-trienyl]benzene?
The canonical SMILES for [(1E,4Z)-6-methyl-3-methylidenehepta-1,4,6-trienyl]benzene is C=C(C)/C=C\C(=C)/C=C/c1ccccc1.
What is the InChIKey of [(1E,4Z)-6-methyl-3-methylidenehepta-1,4,6-trienyl]benzene?
The InChIKey is WYMQILKJXAVEPR-XAZJVICWSA-N. The full InChI is InChI=1S/C15H16/c1-13(2)9-10-14(3)11-12-15-7-5-4-6-8-15/h4-12H,1,3H2,2H3/b10-9-,12-11+.
What are the key properties of [(1E,4Z)-6-methyl-3-methylidenehepta-1,4,6-trienyl]benzene?
[(1E,4Z)-6-methyl-3-methylidenehepta-1,4,6-trienyl]benzene has a molecular weight of 196.29 g/mol, XLogP of 4.39, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(1E,4Z)-6-methyl-3-methylidenehepta-1,4,6-trienyl]benzene is sourced from PubChem (CID 142883812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).