1-[(1Z)-buta-1,3-dienyl]-2-ethenyl-5-[(3E,5Z)-octa-1,3,5,7-tetraen-3-yl]-5-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-3,4-bis[(Z)-prop-1-enyl]cyclopenta-1,3-diene

C33H36 — CID 174026626

IUPAC1-[(1Z)-buta-1,3-dienyl]-2-ethenyl-5-[(3E,5Z)-octa-1,3,5,7-tetraen-3-yl]-5-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-3,4-bis[(Z)-prop-1-enyl]cyclopenta-1,3-diene
SMILESC=C/C=C\C=C(/C=C)C1(C(/C=C\C=C)=C/C=C)C(/C=C\C=C)=C(C=C)C(/C=C\C)=C1/C=C\C
InChIInChI=1S/C33H36/c1-9-17-20-25-27(15-7)33(28(21-12-4)24-18-10-2)31(23-14-6)30(22-13-5)29(16-8)32(33)26-19-11-3/h9-26H,1-4,7-8H2,5-6H3/b20-17-,22-13-,23-14-,24-18-,26-19-,27-25+,28-21+
InChIKeyBUYFMCSUEGCMDW-IVGDTBSWSA-N
MW432.65 g/mol
LogP9.37
Rot. Bonds13

About 1-[(1Z)-buta-1,3-dienyl]-2-ethenyl-5-[(3E,5Z)-octa-1,3,5,7-tetraen-3-yl]-5-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-3,4-bis[(Z)-prop-1-enyl]cyclopenta-1,3-diene

1-[(1Z)-buta-1,3-dienyl]-2-ethenyl-5-[(3E,5Z)-octa-1,3,5,7-tetraen-3-yl]-5-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-3,4-bis[(Z)-prop-1-enyl]cyclopenta-1,3-diene (PubChem CID 174026626) has the molecular formula C33H36 and a molecular weight of 432.65 g/mol. Its IUPAC name is 1-[(1Z)-buta-1,3-dienyl]-2-ethenyl-5-[(3E,5Z)-octa-1,3,5,7-tetraen-3-yl]-5-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-3,4-bis[(Z)-prop-1-enyl]cyclopenta-1,3-diene.

Molecular Properties

Compound Name1-[(1Z)-buta-1,3-dienyl]-2-ethenyl-5-[(3E,5Z)-octa-1,3,5,7-tetraen-3-yl]-5-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-3,4-bis[(Z)-prop-1-enyl]cyclopenta-1,3-diene
PubChem CID174026626
Molecular FormulaC33H36
Molecular Weight432.65 g/mol
Exact Mass432.28
IUPAC Name1-[(1Z)-buta-1,3-dienyl]-2-ethenyl-5-[(3E,5Z)-octa-1,3,5,7-tetraen-3-yl]-5-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-3,4-bis[(Z)-prop-1-enyl]cyclopenta-1,3-diene
SMILESC=C/C=C\C=C(/C=C)C1(C(/C=C\C=C)=C/C=C)C(/C=C\C=C)=C(C=C)C(/C=C\C)=C1/C=C\C
InChIInChI=1S/C33H36/c1-9-17-20-25-27(15-7)33(28(21-12-4)24-18-10-2)31(23-14-6)30(22-13-5)29(16-8)32(33)26-19-11-3/h9-26H,1-4,7-8H2,5-6H3/b20-17-,22-13-,23-14-,24-18-,26-19-,27-25+,28-21+
InChIKeyBUYFMCSUEGCMDW-IVGDTBSWSA-N
XLogP9.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.65
LogP ≤ 59.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-[(1Z)-buta-1,3-dienyl]-2-ethenyl-5-[(3E,5Z)-octa-1,3,5,7-tetraen-3-yl]-5-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-3,4-bis[(Z)-prop-1-enyl]cyclopenta-1,3-diene with MolForge

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Related Compounds

3-ethenyl-1-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-1-[(3E)-hexa-1,3,5-trien-3-yl]-2-[(Z)-prop-1-enyl]indene
CID 143139449
9-[(3E)-hexa-1,3,5-trien-3-yl]-9-[(3Z,5E,7Z)-nona-1,3,5,7-tetraen-5-yl]fluorene
CID 145055361
[3,4-bis(ethenyl)-1-[(2E,4Z)-hexa-2,4-dien-3-yl]-2,5-bis[(Z)-prop-1-enyl]cyclopenta-2,4-dien-1-yl]benzene
CID 163389057
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
1,2'-bis[(1Z)-buta-1,3-dienyl]-2,3'-bis(ethenyl)-3-methyl-4-[(Z)-prop-1-enyl]spiro[cyclopenta-1,3-diene-5,1'-indene]
CID 174069889
(3Z,5Z)-4-[(E)-prop-1-enyl]octa-1,3,5,7-tetraene
CID 143274377
(3Z,5Z,7E)-6-methylnona-1,3,5,7-tetraene
CID 144512529
(3Z,5E,6E,8Z)-6-ethenyl-5-ethylidenedeca-1,3,6,8-tetraene
CID 142285656
1-[(1Z)-buta-1,3-dienyl]-2,3-dimethyl-5-methylidene-4-[(Z)-prop-1-enyl]cyclopenta-1,3-diene
CID 144789889
(1E)-1-[2-[(1Z)-buta-1,3-dienyl]-3,4-bis(ethenyl)-6-methyl-5-[(Z)-prop-1-enyl]phenyl]buta-1,3-diene-2-thiol
CID 166695909
(1E)-1-[2-[(1Z)-buta-1,3-dienyl]-3,4,6-tris(ethenyl)-5-[(Z)-prop-1-enyl]phenyl]buta-1,3-diene-1-thiol
CID 166695987
2-[(1Z)-buta-1,3-dienyl]-2'-ethenyl-3-methyl-3'-[(Z)-prop-1-enyl]-1,1'-spirobi[indene]
CID 142597844

Frequently Asked Questions

What is the IUPAC name of 1-[(1Z)-buta-1,3-dienyl]-2-ethenyl-5-[(3E,5Z)-octa-1,3,5,7-tetraen-3-yl]-5-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-3,4-bis[(Z)-prop-1-enyl]cyclopenta-1,3-diene?
The IUPAC name of 1-[(1Z)-buta-1,3-dienyl]-2-ethenyl-5-[(3E,5Z)-octa-1,3,5,7-tetraen-3-yl]-5-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-3,4-bis[(Z)-prop-1-enyl]cyclopenta-1,3-diene (CID 174026626) is 1-[(1Z)-buta-1,3-dienyl]-2-ethenyl-5-[(3E,5Z)-octa-1,3,5,7-tetraen-3-yl]-5-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-3,4-bis[(Z)-prop-1-enyl]cyclopenta-1,3-diene.
What is the SMILES notation for 1-[(1Z)-buta-1,3-dienyl]-2-ethenyl-5-[(3E,5Z)-octa-1,3,5,7-tetraen-3-yl]-5-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-3,4-bis[(Z)-prop-1-enyl]cyclopenta-1,3-diene?
The canonical SMILES for 1-[(1Z)-buta-1,3-dienyl]-2-ethenyl-5-[(3E,5Z)-octa-1,3,5,7-tetraen-3-yl]-5-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-3,4-bis[(Z)-prop-1-enyl]cyclopenta-1,3-diene is C=C/C=C\C=C(/C=C)C1(C(/C=C\C=C)=C/C=C)C(/C=C\C=C)=C(C=C)C(/C=C\C)=C1/C=C\C.
What is the InChIKey of 1-[(1Z)-buta-1,3-dienyl]-2-ethenyl-5-[(3E,5Z)-octa-1,3,5,7-tetraen-3-yl]-5-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-3,4-bis[(Z)-prop-1-enyl]cyclopenta-1,3-diene?
The InChIKey is BUYFMCSUEGCMDW-IVGDTBSWSA-N. The full InChI is InChI=1S/C33H36/c1-9-17-20-25-27(15-7)33(28(21-12-4)24-18-10-2)31(23-14-6)30(22-13-5)29(16-8)32(33)26-19-11-3/h9-26H,1-4,7-8H2,5-6H3/b20-17-,22-13-,23-14-,24-18-,26-19-,27-25+,28-21+.
What are the key properties of 1-[(1Z)-buta-1,3-dienyl]-2-ethenyl-5-[(3E,5Z)-octa-1,3,5,7-tetraen-3-yl]-5-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-3,4-bis[(Z)-prop-1-enyl]cyclopenta-1,3-diene?
1-[(1Z)-buta-1,3-dienyl]-2-ethenyl-5-[(3E,5Z)-octa-1,3,5,7-tetraen-3-yl]-5-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-3,4-bis[(Z)-prop-1-enyl]cyclopenta-1,3-diene has a molecular weight of 432.65 g/mol, XLogP of 9.37, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1Z)-buta-1,3-dienyl]-2-ethenyl-5-[(3E,5Z)-octa-1,3,5,7-tetraen-3-yl]-5-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-3,4-bis[(Z)-prop-1-enyl]cyclopenta-1,3-diene is sourced from PubChem (CID 174026626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).