1-ethenyl-5-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-5-[(2E,4Z)-hexa-2,4-dien-3-yl]-3,3-dimethyl-2-[(Z)-prop-1-enyl]cyclopentene

C25H34 — CID 145407369

IUPAC1-ethenyl-5-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-5-[(2E,4Z)-hexa-2,4-dien-3-yl]-3,3-dimethyl-2-[(Z)-prop-1-enyl]cyclopentene
SMILESC=C/C=C(\C=C/C)C1(C(/C=C\C)=C/C)CC(C)(C)C(/C=C\C)=C1C=C
InChIInChI=1S/C25H34/c1-9-15-20(13-5)25(21(16-10-2)17-11-3)19-24(7,8)23(18-12-4)22(25)14-6/h9-18H,2,6,19H2,1,3-5,7-8H3/b15-9-,17-11-,18-12-,20-13+,21-16+
InChIKeyPLPOSPKOJICGRK-NPHYTXLJSA-N
MW334.55 g/mol
LogP7.67
Rot. Bonds7

About 1-ethenyl-5-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-5-[(2E,4Z)-hexa-2,4-dien-3-yl]-3,3-dimethyl-2-[(Z)-prop-1-enyl]cyclopentene

1-ethenyl-5-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-5-[(2E,4Z)-hexa-2,4-dien-3-yl]-3,3-dimethyl-2-[(Z)-prop-1-enyl]cyclopentene (PubChem CID 145407369) has the molecular formula C25H34 and a molecular weight of 334.55 g/mol. Its IUPAC name is 1-ethenyl-5-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-5-[(2E,4Z)-hexa-2,4-dien-3-yl]-3,3-dimethyl-2-[(Z)-prop-1-enyl]cyclopentene.

Molecular Properties

Compound Name1-ethenyl-5-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-5-[(2E,4Z)-hexa-2,4-dien-3-yl]-3,3-dimethyl-2-[(Z)-prop-1-enyl]cyclopentene
PubChem CID145407369
Molecular FormulaC25H34
Molecular Weight334.55 g/mol
Exact Mass334.27
IUPAC Name1-ethenyl-5-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-5-[(2E,4Z)-hexa-2,4-dien-3-yl]-3,3-dimethyl-2-[(Z)-prop-1-enyl]cyclopentene
SMILESC=C/C=C(\C=C/C)C1(C(/C=C\C)=C/C)CC(C)(C)C(/C=C\C)=C1C=C
InChIInChI=1S/C25H34/c1-9-15-20(13-5)25(21(16-10-2)17-11-3)19-24(7,8)23(18-12-4)22(25)14-6/h9-18H,2,6,19H2,1,3-5,7-8H3/b15-9-,17-11-,18-12-,20-13+,21-16+
InChIKeyPLPOSPKOJICGRK-NPHYTXLJSA-N
XLogP7.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.55
LogP ≤ 57.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-ethenyl-5-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-5-[(2E,4Z)-hexa-2,4-dien-3-yl]-3,3-dimethyl-2-[(Z)-prop-1-enyl]cyclopentene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-5-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-5-[(2E,4Z)-hexa-2,4-dien-3-yl]-3,3-dimethyl-2-[(Z)-prop-1-enyl]cyclopentene?
The IUPAC name of 1-ethenyl-5-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-5-[(2E,4Z)-hexa-2,4-dien-3-yl]-3,3-dimethyl-2-[(Z)-prop-1-enyl]cyclopentene (CID 145407369) is 1-ethenyl-5-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-5-[(2E,4Z)-hexa-2,4-dien-3-yl]-3,3-dimethyl-2-[(Z)-prop-1-enyl]cyclopentene.
What is the SMILES notation for 1-ethenyl-5-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-5-[(2E,4Z)-hexa-2,4-dien-3-yl]-3,3-dimethyl-2-[(Z)-prop-1-enyl]cyclopentene?
The canonical SMILES for 1-ethenyl-5-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-5-[(2E,4Z)-hexa-2,4-dien-3-yl]-3,3-dimethyl-2-[(Z)-prop-1-enyl]cyclopentene is C=C/C=C(\C=C/C)C1(C(/C=C\C)=C/C)CC(C)(C)C(/C=C\C)=C1C=C.
What is the InChIKey of 1-ethenyl-5-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-5-[(2E,4Z)-hexa-2,4-dien-3-yl]-3,3-dimethyl-2-[(Z)-prop-1-enyl]cyclopentene?
The InChIKey is PLPOSPKOJICGRK-NPHYTXLJSA-N. The full InChI is InChI=1S/C25H34/c1-9-15-20(13-5)25(21(16-10-2)17-11-3)19-24(7,8)23(18-12-4)22(25)14-6/h9-18H,2,6,19H2,1,3-5,7-8H3/b15-9-,17-11-,18-12-,20-13+,21-16+.
What are the key properties of 1-ethenyl-5-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-5-[(2E,4Z)-hexa-2,4-dien-3-yl]-3,3-dimethyl-2-[(Z)-prop-1-enyl]cyclopentene?
1-ethenyl-5-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-5-[(2E,4Z)-hexa-2,4-dien-3-yl]-3,3-dimethyl-2-[(Z)-prop-1-enyl]cyclopentene has a molecular weight of 334.55 g/mol, XLogP of 7.67, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-5-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-5-[(2E,4Z)-hexa-2,4-dien-3-yl]-3,3-dimethyl-2-[(Z)-prop-1-enyl]cyclopentene is sourced from PubChem (CID 145407369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).