1-[(Z,3E)-3-ethylidene-2-methylhept-4-en-2-yl]-4-[(Z,3E)-3-ethylidene-2-methylhex-4-en-2-yl]benzene

C25H36 — CID 143035860

IUPAC1-[(Z,3E)-3-ethylidene-2-methylhept-4-en-2-yl]-4-[(Z,3E)-3-ethylidene-2-methylhex-4-en-2-yl]benzene
SMILESC/C=C\C(=C/C)C(C)(C)c1ccc(C(C)(C)C(/C=C\CC)=C/C)cc1
InChIInChI=1S/C25H36/c1-9-13-15-21(12-4)25(7,8)23-18-16-22(17-19-23)24(5,6)20(11-3)14-10-2/h10-19H,9H2,1-8H3/b14-10-,15-13-,20-11+,21-12+
InChIKeyPWCDQKGXJUDOJU-IQFJDMNTSA-N
MW336.56 g/mol
LogP7.68
Rot. Bonds7

About 1-[(Z,3E)-3-ethylidene-2-methylhept-4-en-2-yl]-4-[(Z,3E)-3-ethylidene-2-methylhex-4-en-2-yl]benzene

1-[(Z,3E)-3-ethylidene-2-methylhept-4-en-2-yl]-4-[(Z,3E)-3-ethylidene-2-methylhex-4-en-2-yl]benzene (PubChem CID 143035860) has the molecular formula C25H36 and a molecular weight of 336.56 g/mol. Its IUPAC name is 1-[(Z,3E)-3-ethylidene-2-methylhept-4-en-2-yl]-4-[(Z,3E)-3-ethylidene-2-methylhex-4-en-2-yl]benzene.

Molecular Properties

Compound Name1-[(Z,3E)-3-ethylidene-2-methylhept-4-en-2-yl]-4-[(Z,3E)-3-ethylidene-2-methylhex-4-en-2-yl]benzene
PubChem CID143035860
Molecular FormulaC25H36
Molecular Weight336.56 g/mol
Exact Mass336.28
IUPAC Name1-[(Z,3E)-3-ethylidene-2-methylhept-4-en-2-yl]-4-[(Z,3E)-3-ethylidene-2-methylhex-4-en-2-yl]benzene
SMILESC/C=C\C(=C/C)C(C)(C)c1ccc(C(C)(C)C(/C=C\CC)=C/C)cc1
InChIInChI=1S/C25H36/c1-9-13-15-21(12-4)25(7,8)23-18-16-22(17-19-23)24(5,6)20(11-3)14-10-2/h10-19H,9H2,1-8H3/b14-10-,15-13-,20-11+,21-12+
InChIKeyPWCDQKGXJUDOJU-IQFJDMNTSA-N
XLogP7.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.56
LogP ≤ 57.68
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

1-[(Z,3E)-3-ethylidene-2-methylhex-4-en-2-yl]-4-[(3E)-penta-1,3-dien-3-yl]oxybenzene
CID 143570219
(Z,3E)-3-ethylidene-2-methylhept-4-en-2-amine
CID 145473647
ethane;[(3E)-2-methyl-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-yl]benzene
CID 142223865
[(3Z,5E)-5-[2-[4-(2-methylbutan-2-yloxy)phenyl]propan-2-yl]hepta-1,3,5-trien-2-yl] 2,2-dimethylbutanoate
CID 126724965
[(3E,5Z)-3-ethenyl-2-methylhepta-3,5-dien-2-yl]benzene
CID 142292724
4-N-[(2Z,4E)-7,7-dimethyl-6-methylideneocta-2,4-dien-4-yl]-1-N-[(3E,5Z)-octa-1,3,5-trien-4-yl]benzene-1,4-diamine
CID 174248069
(2Z,4E,6E)-4-(1,1,2-trifluoroethyl)nona-2,4,6-triene
CID 129041542
ethane;[(2E,4Z)-hepta-2,4-dien-3-yl]-phenylsulfanium
CID 145376903
(2Z,4Z)-3-[(Z)-prop-1-enyl]hepta-2,4-dien-2-amine
CID 166922206
(3Z)-N-tert-butylhexa-1,3-dien-2-amine
CID 155050644
1-[(E)-2,3-dimethylpent-3-en-2-yl]-4-methylbenzene
CID 143022578
(E)-2,2-dimethylhept-4-en-3-one
CID 12757137

Frequently Asked Questions

What is the IUPAC name of 1-[(Z,3E)-3-ethylidene-2-methylhept-4-en-2-yl]-4-[(Z,3E)-3-ethylidene-2-methylhex-4-en-2-yl]benzene?
The IUPAC name of 1-[(Z,3E)-3-ethylidene-2-methylhept-4-en-2-yl]-4-[(Z,3E)-3-ethylidene-2-methylhex-4-en-2-yl]benzene (CID 143035860) is 1-[(Z,3E)-3-ethylidene-2-methylhept-4-en-2-yl]-4-[(Z,3E)-3-ethylidene-2-methylhex-4-en-2-yl]benzene.
What is the SMILES notation for 1-[(Z,3E)-3-ethylidene-2-methylhept-4-en-2-yl]-4-[(Z,3E)-3-ethylidene-2-methylhex-4-en-2-yl]benzene?
The canonical SMILES for 1-[(Z,3E)-3-ethylidene-2-methylhept-4-en-2-yl]-4-[(Z,3E)-3-ethylidene-2-methylhex-4-en-2-yl]benzene is C/C=C\C(=C/C)C(C)(C)c1ccc(C(C)(C)C(/C=C\CC)=C/C)cc1.
What is the InChIKey of 1-[(Z,3E)-3-ethylidene-2-methylhept-4-en-2-yl]-4-[(Z,3E)-3-ethylidene-2-methylhex-4-en-2-yl]benzene?
The InChIKey is PWCDQKGXJUDOJU-IQFJDMNTSA-N. The full InChI is InChI=1S/C25H36/c1-9-13-15-21(12-4)25(7,8)23-18-16-22(17-19-23)24(5,6)20(11-3)14-10-2/h10-19H,9H2,1-8H3/b14-10-,15-13-,20-11+,21-12+.
What are the key properties of 1-[(Z,3E)-3-ethylidene-2-methylhept-4-en-2-yl]-4-[(Z,3E)-3-ethylidene-2-methylhex-4-en-2-yl]benzene?
1-[(Z,3E)-3-ethylidene-2-methylhept-4-en-2-yl]-4-[(Z,3E)-3-ethylidene-2-methylhex-4-en-2-yl]benzene has a molecular weight of 336.56 g/mol, XLogP of 7.68, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z,3E)-3-ethylidene-2-methylhept-4-en-2-yl]-4-[(Z,3E)-3-ethylidene-2-methylhex-4-en-2-yl]benzene is sourced from PubChem (CID 143035860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).