[(1E,3Z)-2-methylhexa-1,3,5-trienyl]benzene

C13H14 — CID 143291688

IUPAC[(1E,3Z)-2-methylhexa-1,3,5-trienyl]benzene
SMILESC=C/C=C\C(C)=C\c1ccccc1
InChIInChI=1S/C13H14/c1-3-4-8-12(2)11-13-9-6-5-7-10-13/h3-11H,1H2,2H3/b8-4-,12-11+
InChIKeyRJYCGPZIDOLLIE-CQBWSJEESA-N
MW170.25 g/mol
LogP3.83
Rot. Bonds3

About [(1E,3Z)-2-methylhexa-1,3,5-trienyl]benzene

[(1E,3Z)-2-methylhexa-1,3,5-trienyl]benzene (PubChem CID 143291688) has the molecular formula C13H14 and a molecular weight of 170.25 g/mol. Its IUPAC name is [(1E,3Z)-2-methylhexa-1,3,5-trienyl]benzene.

Molecular Properties

Compound Name[(1E,3Z)-2-methylhexa-1,3,5-trienyl]benzene
PubChem CID143291688
Molecular FormulaC13H14
Molecular Weight170.25 g/mol
Exact Mass170.11
IUPAC Name[(1E,3Z)-2-methylhexa-1,3,5-trienyl]benzene
SMILESC=C/C=C\C(C)=C\c1ccccc1
InChIInChI=1S/C13H14/c1-3-4-8-12(2)11-13-9-6-5-7-10-13/h3-11H,1H2,2H3/b8-4-,12-11+
InChIKeyRJYCGPZIDOLLIE-CQBWSJEESA-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

bis(2-methylbuta-1,3-dienylbenzene);styrene
CID 173409204
[(1E,3E,5Z)-3-methylocta-1,3,5,7-tetraenyl]benzene
CID 143083537
3-benzylidenehepta-1,4,6-trienylbenzene;hydrate
CID 87994384
1,2-bis[(1E,3Z)-3-methyl-4-phenylbuta-1,3-dienyl]benzene
CID 56654891
1,2-bis[(1Z,3E)-3-methyl-4-phenylbuta-1,3-dienyl]benzene
CID 56654558
4-benzylideneocta-2,5,7-trienoic acid
CID 54332151
2-tert-butylhexa-1,3,5-trienylbenzene;2-methylprop-2-enenitrile
CID 88831557
trimethyl-[(1E,3E)-3-methyl-4-phenylbuta-1,3-dienyl]silane
CID 10560699
2-ethenylhexa-1,3,5-trienylbenzene;pyridine
CID 87504739
[(1E,3Z)-3-methylhexa-1,3,5-trienyl]benzene
CID 165151781
(3Z,5Z)-5-methylhepta-1,3,5-triene;N-methyl-1-phenylmethanamine
CID 143842568
4,4,5,5-tetramethyl-2-[(1E,3E,5E)-5-methyl-6-phenylhexa-1,3,5-trienyl]-1,3,2-dioxaborolane
CID 177432813

Frequently Asked Questions

What is the IUPAC name of [(1E,3Z)-2-methylhexa-1,3,5-trienyl]benzene?
The IUPAC name of [(1E,3Z)-2-methylhexa-1,3,5-trienyl]benzene (CID 143291688) is [(1E,3Z)-2-methylhexa-1,3,5-trienyl]benzene.
What is the SMILES notation for [(1E,3Z)-2-methylhexa-1,3,5-trienyl]benzene?
The canonical SMILES for [(1E,3Z)-2-methylhexa-1,3,5-trienyl]benzene is C=C/C=C\C(C)=C\c1ccccc1.
What is the InChIKey of [(1E,3Z)-2-methylhexa-1,3,5-trienyl]benzene?
The InChIKey is RJYCGPZIDOLLIE-CQBWSJEESA-N. The full InChI is InChI=1S/C13H14/c1-3-4-8-12(2)11-13-9-6-5-7-10-13/h3-11H,1H2,2H3/b8-4-,12-11+.
What are the key properties of [(1E,3Z)-2-methylhexa-1,3,5-trienyl]benzene?
[(1E,3Z)-2-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)-2-methylhexa-1,3,5-trienyl]benzene is sourced from PubChem (CID 143291688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).