[(3E,7E)-4,7-bis[(Z)-prop-1-enyl]-6-[(1E)-1-[(Z)-prop-1-enyl]buta-1,3-dienyl]deca-1,3,7,9-tetraen-5-yl]benzene

C29H34 — CID 144915039

IUPAC[(3E,7E)-4,7-bis[(Z)-prop-1-enyl]-6-[(1E)-1-[(Z)-prop-1-enyl]buta-1,3-dienyl]deca-1,3,7,9-tetraen-5-yl]benzene
SMILESC=C/C=C(\C=C/C)C(C(/C=C\C)=C/C=C)C(C(/C=C\C)=C/C=C)c1ccccc1
InChIInChI=1S/C29H34/c1-7-16-24(17-8-2)28(25(18-9-3)19-10-4)29(26(20-11-5)21-12-6)27-22-14-13-15-23-27/h7-23,28-29H,1,3,5H2,2,4,6H3/b17-8-,19-10-,21-12-,24-16+,25-18+,26-20+
InChIKeyBYWRDTAXVZGCAN-SNEHRBFWSA-N
MW382.59 g/mol
LogP8.45
Rot. Bonds11

About [(3E,7E)-4,7-bis[(Z)-prop-1-enyl]-6-[(1E)-1-[(Z)-prop-1-enyl]buta-1,3-dienyl]deca-1,3,7,9-tetraen-5-yl]benzene

[(3E,7E)-4,7-bis[(Z)-prop-1-enyl]-6-[(1E)-1-[(Z)-prop-1-enyl]buta-1,3-dienyl]deca-1,3,7,9-tetraen-5-yl]benzene (PubChem CID 144915039) has the molecular formula C29H34 and a molecular weight of 382.59 g/mol. Its IUPAC name is [(3E,7E)-4,7-bis[(Z)-prop-1-enyl]-6-[(1E)-1-[(Z)-prop-1-enyl]buta-1,3-dienyl]deca-1,3,7,9-tetraen-5-yl]benzene.

Molecular Properties

Compound Name[(3E,7E)-4,7-bis[(Z)-prop-1-enyl]-6-[(1E)-1-[(Z)-prop-1-enyl]buta-1,3-dienyl]deca-1,3,7,9-tetraen-5-yl]benzene
PubChem CID144915039
Molecular FormulaC29H34
Molecular Weight382.59 g/mol
Exact Mass382.27
IUPAC Name[(3E,7E)-4,7-bis[(Z)-prop-1-enyl]-6-[(1E)-1-[(Z)-prop-1-enyl]buta-1,3-dienyl]deca-1,3,7,9-tetraen-5-yl]benzene
SMILESC=C/C=C(\C=C/C)C(C(/C=C\C)=C/C=C)C(C(/C=C\C)=C/C=C)c1ccccc1
InChIInChI=1S/C29H34/c1-7-16-24(17-8-2)28(25(18-9-3)19-10-4)29(26(20-11-5)21-12-6)27-22-14-13-15-23-27/h7-23,28-29H,1,3,5H2,2,4,6H3/b17-8-,19-10-,21-12-,24-16+,25-18+,26-20+
InChIKeyBYWRDTAXVZGCAN-SNEHRBFWSA-N
XLogP8.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.59
LogP ≤ 58.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze [(3E,7E)-4,7-bis[(Z)-prop-1-enyl]-6-[(1E)-1-[(Z)-prop-1-enyl]buta-1,3-dienyl]deca-1,3,7,9-tetraen-5-yl]benzene 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 [(3E,7E)-4,7-bis[(Z)-prop-1-enyl]-6-[(1E)-1-[(Z)-prop-1-enyl]buta-1,3-dienyl]deca-1,3,7,9-tetraen-5-yl]benzene?
The IUPAC name of [(3E,7E)-4,7-bis[(Z)-prop-1-enyl]-6-[(1E)-1-[(Z)-prop-1-enyl]buta-1,3-dienyl]deca-1,3,7,9-tetraen-5-yl]benzene (CID 144915039) is [(3E,7E)-4,7-bis[(Z)-prop-1-enyl]-6-[(1E)-1-[(Z)-prop-1-enyl]buta-1,3-dienyl]deca-1,3,7,9-tetraen-5-yl]benzene.
What is the SMILES notation for [(3E,7E)-4,7-bis[(Z)-prop-1-enyl]-6-[(1E)-1-[(Z)-prop-1-enyl]buta-1,3-dienyl]deca-1,3,7,9-tetraen-5-yl]benzene?
The canonical SMILES for [(3E,7E)-4,7-bis[(Z)-prop-1-enyl]-6-[(1E)-1-[(Z)-prop-1-enyl]buta-1,3-dienyl]deca-1,3,7,9-tetraen-5-yl]benzene is C=C/C=C(\C=C/C)C(C(/C=C\C)=C/C=C)C(C(/C=C\C)=C/C=C)c1ccccc1.
What is the InChIKey of [(3E,7E)-4,7-bis[(Z)-prop-1-enyl]-6-[(1E)-1-[(Z)-prop-1-enyl]buta-1,3-dienyl]deca-1,3,7,9-tetraen-5-yl]benzene?
The InChIKey is BYWRDTAXVZGCAN-SNEHRBFWSA-N. The full InChI is InChI=1S/C29H34/c1-7-16-24(17-8-2)28(25(18-9-3)19-10-4)29(26(20-11-5)21-12-6)27-22-14-13-15-23-27/h7-23,28-29H,1,3,5H2,2,4,6H3/b17-8-,19-10-,21-12-,24-16+,25-18+,26-20+.
What are the key properties of [(3E,7E)-4,7-bis[(Z)-prop-1-enyl]-6-[(1E)-1-[(Z)-prop-1-enyl]buta-1,3-dienyl]deca-1,3,7,9-tetraen-5-yl]benzene?
[(3E,7E)-4,7-bis[(Z)-prop-1-enyl]-6-[(1E)-1-[(Z)-prop-1-enyl]buta-1,3-dienyl]deca-1,3,7,9-tetraen-5-yl]benzene has a molecular weight of 382.59 g/mol, XLogP of 8.45, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(3E,7E)-4,7-bis[(Z)-prop-1-enyl]-6-[(1E)-1-[(Z)-prop-1-enyl]buta-1,3-dienyl]deca-1,3,7,9-tetraen-5-yl]benzene is sourced from PubChem (CID 144915039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).