[(1E,4E,6E)-6-ethyl-1-(6-methylcyclohexa-1,5-dien-1-yl)-3-methylidene-2-prop-1-en-2-ylocta-1,4,6-trienyl]benzene

C27H32 — CID 142303229

IUPAC[(1E,4E,6E)-6-ethyl-1-(6-methylcyclohexa-1,5-dien-1-yl)-3-methylidene-2-prop-1-en-2-ylocta-1,4,6-trienyl]benzene
SMILESC=C(C)C(C(=C)/C=C/C(=C/C)CC)=C(C1=CCCC=C1C)c1ccccc1
InChIInChI=1S/C27H32/c1-7-23(8-2)19-18-22(6)26(20(3)4)27(24-15-10-9-11-16-24)25-17-13-12-14-21(25)5/h7,9-11,14-19H,3,6,8,12-13H2,1-2,4-5H3/b19-18+,23-7+,27-26+
InChIKeyKVJNMBMNWIXABJ-VIGOKANKSA-N
MW356.55 g/mol
LogP8.15
Rot. Bonds7

About [(1E,4E,6E)-6-ethyl-1-(6-methylcyclohexa-1,5-dien-1-yl)-3-methylidene-2-prop-1-en-2-ylocta-1,4,6-trienyl]benzene

[(1E,4E,6E)-6-ethyl-1-(6-methylcyclohexa-1,5-dien-1-yl)-3-methylidene-2-prop-1-en-2-ylocta-1,4,6-trienyl]benzene (PubChem CID 142303229) has the molecular formula C27H32 and a molecular weight of 356.55 g/mol. Its IUPAC name is [(1E,4E,6E)-6-ethyl-1-(6-methylcyclohexa-1,5-dien-1-yl)-3-methylidene-2-prop-1-en-2-ylocta-1,4,6-trienyl]benzene.

Molecular Properties

Compound Name[(1E,4E,6E)-6-ethyl-1-(6-methylcyclohexa-1,5-dien-1-yl)-3-methylidene-2-prop-1-en-2-ylocta-1,4,6-trienyl]benzene
PubChem CID142303229
Molecular FormulaC27H32
Molecular Weight356.55 g/mol
Exact Mass356.25
IUPAC Name[(1E,4E,6E)-6-ethyl-1-(6-methylcyclohexa-1,5-dien-1-yl)-3-methylidene-2-prop-1-en-2-ylocta-1,4,6-trienyl]benzene
SMILESC=C(C)C(C(=C)/C=C/C(=C/C)CC)=C(C1=CCCC=C1C)c1ccccc1
InChIInChI=1S/C27H32/c1-7-23(8-2)19-18-22(6)26(20(3)4)27(24-15-10-9-11-16-24)25-17-13-12-14-21(25)5/h7,9-11,14-19H,3,6,8,12-13H2,1-2,4-5H3/b19-18+,23-7+,27-26+
InChIKeyKVJNMBMNWIXABJ-VIGOKANKSA-N
XLogP8.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.55
LogP ≤ 58.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze [(1E,4E,6E)-6-ethyl-1-(6-methylcyclohexa-1,5-dien-1-yl)-3-methylidene-2-prop-1-en-2-ylocta-1,4,6-trienyl]benzene with MolForge

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Related Compounds

5-ethyl-2-methylidenehepta-3,5-dienoic acid
CID 91121343
1-(6-methylcyclohexa-1,5-dien-1-yl)-2-phenylethanone
CID 145337056
(3Z,5E,7E,8Z)-7-ethylidene-2,4-dimethylidene-3-[(2-methylphenyl)-phenylmethylidene]deca-5,8-dien-1-amine
CID 167131990
(3E)-2-phenylpenta-1,3-dien-3-ol
CID 126638860
ethyl 2-phenylprop-2-enoate;2-methylprop-2-enoic acid
CID 70039514
1-fluoro-4-methylbenzene;1-phenylpropan-2-one;(3Z,5Z)-N,N,5-triethylhepta-1,3,5-trien-2-amine
CID 143695973
ethane;methane;3-methylbut-3-en-2-one;1-phenylpropan-1-one
CID 161480894
1-cyclohexa-1,3-dien-1-yl-4-(3-ethylpenta-1,3-dienyl)naphthalene
CID 123183318
[(Z)-2-(5-methylidenecyclopenten-1-yl)but-1-enyl]benzene
CID 154715098
methane;propane;prop-1-en-2-ylbenzene
CID 145329923
2-methylidene-1-phenylbutan-1-one
CID 11788458
(E)-3-benzhydrylidenehex-4-en-2-one
CID 101384989

Frequently Asked Questions

What is the IUPAC name of [(1E,4E,6E)-6-ethyl-1-(6-methylcyclohexa-1,5-dien-1-yl)-3-methylidene-2-prop-1-en-2-ylocta-1,4,6-trienyl]benzene?
The IUPAC name of [(1E,4E,6E)-6-ethyl-1-(6-methylcyclohexa-1,5-dien-1-yl)-3-methylidene-2-prop-1-en-2-ylocta-1,4,6-trienyl]benzene (CID 142303229) is [(1E,4E,6E)-6-ethyl-1-(6-methylcyclohexa-1,5-dien-1-yl)-3-methylidene-2-prop-1-en-2-ylocta-1,4,6-trienyl]benzene.
What is the SMILES notation for [(1E,4E,6E)-6-ethyl-1-(6-methylcyclohexa-1,5-dien-1-yl)-3-methylidene-2-prop-1-en-2-ylocta-1,4,6-trienyl]benzene?
The canonical SMILES for [(1E,4E,6E)-6-ethyl-1-(6-methylcyclohexa-1,5-dien-1-yl)-3-methylidene-2-prop-1-en-2-ylocta-1,4,6-trienyl]benzene is C=C(C)C(C(=C)/C=C/C(=C/C)CC)=C(C1=CCCC=C1C)c1ccccc1.
What is the InChIKey of [(1E,4E,6E)-6-ethyl-1-(6-methylcyclohexa-1,5-dien-1-yl)-3-methylidene-2-prop-1-en-2-ylocta-1,4,6-trienyl]benzene?
The InChIKey is KVJNMBMNWIXABJ-VIGOKANKSA-N. The full InChI is InChI=1S/C27H32/c1-7-23(8-2)19-18-22(6)26(20(3)4)27(24-15-10-9-11-16-24)25-17-13-12-14-21(25)5/h7,9-11,14-19H,3,6,8,12-13H2,1-2,4-5H3/b19-18+,23-7+,27-26+.
What are the key properties of [(1E,4E,6E)-6-ethyl-1-(6-methylcyclohexa-1,5-dien-1-yl)-3-methylidene-2-prop-1-en-2-ylocta-1,4,6-trienyl]benzene?
[(1E,4E,6E)-6-ethyl-1-(6-methylcyclohexa-1,5-dien-1-yl)-3-methylidene-2-prop-1-en-2-ylocta-1,4,6-trienyl]benzene has a molecular weight of 356.55 g/mol, XLogP of 8.15, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(1E,4E,6E)-6-ethyl-1-(6-methylcyclohexa-1,5-dien-1-yl)-3-methylidene-2-prop-1-en-2-ylocta-1,4,6-trienyl]benzene is sourced from PubChem (CID 142303229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).