1-[(2Z,4E,6E,9Z)-7-ethenyl-5-methyl-8-methylideneundeca-2,4,6,9-tetraen-6-yl]-4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]benzene

C28H32 — CID 142935495

IUPAC1-[(2Z,4E,6E,9Z)-7-ethenyl-5-methyl-8-methylideneundeca-2,4,6,9-tetraen-6-yl]-4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]benzene
SMILESC=C/C=C(\C=C/C)c1ccc(C(/C(C)=C/C=C\C)=C(\C=C)C(=C)/C=C\C)cc1
InChIInChI=1S/C28H32/c1-8-13-17-23(7)28(27(12-5)22(6)14-9-2)26-20-18-25(19-21-26)24(15-10-3)16-11-4/h8-21H,3,5-6H2,1-2,4,7H3/b13-8-,14-9-,16-11-,23-17+,24-15+,28-27+
InChIKeyIRXCQNKGENLLFR-KWXZGAGQSA-N
MW368.56 g/mol
LogP8.43
Rot. Bonds9

About 1-[(2Z,4E,6E,9Z)-7-ethenyl-5-methyl-8-methylideneundeca-2,4,6,9-tetraen-6-yl]-4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]benzene

1-[(2Z,4E,6E,9Z)-7-ethenyl-5-methyl-8-methylideneundeca-2,4,6,9-tetraen-6-yl]-4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]benzene (PubChem CID 142935495) has the molecular formula C28H32 and a molecular weight of 368.56 g/mol. Its IUPAC name is 1-[(2Z,4E,6E,9Z)-7-ethenyl-5-methyl-8-methylideneundeca-2,4,6,9-tetraen-6-yl]-4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]benzene.

Molecular Properties

Compound Name1-[(2Z,4E,6E,9Z)-7-ethenyl-5-methyl-8-methylideneundeca-2,4,6,9-tetraen-6-yl]-4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]benzene
PubChem CID142935495
Molecular FormulaC28H32
Molecular Weight368.56 g/mol
Exact Mass368.25
IUPAC Name1-[(2Z,4E,6E,9Z)-7-ethenyl-5-methyl-8-methylideneundeca-2,4,6,9-tetraen-6-yl]-4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]benzene
SMILESC=C/C=C(\C=C/C)c1ccc(C(/C(C)=C/C=C\C)=C(\C=C)C(=C)/C=C\C)cc1
InChIInChI=1S/C28H32/c1-8-13-17-23(7)28(27(12-5)22(6)14-9-2)26-20-18-25(19-21-26)24(15-10-3)16-11-4/h8-21H,3,5-6H2,1-2,4,7H3/b13-8-,14-9-,16-11-,23-17+,24-15+,28-27+
InChIKeyIRXCQNKGENLLFR-KWXZGAGQSA-N
XLogP8.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.56
LogP ≤ 58.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-[(2Z,4E,6E,9Z)-7-ethenyl-5-methyl-8-methylideneundeca-2,4,6,9-tetraen-6-yl]-4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]benzene with MolForge

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Related Compounds

1-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-3-[(3E)-hexa-1,3,5-trien-3-yl]benzene
CID 144938700
ethane;[(3Z,5Z)-hepta-1,3,5-trien-2-yl]benzene;[(3E,5Z)-hepta-1,3,5-trien-4-yl]benzene;toluene
CID 142469927
1-buta-1,3-dien-2-yl-3-[(3E,5Z)-hepta-1,3,5-trien-4-yl]benzene
CID 145073246
9-[4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]phenyl]-9-phenylfluorene
CID 163640808
ethane;1-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-4-phenylbenzene;methane;propane
CID 142497192
1-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-4-methylbenzene
CID 142152757
2-[4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]phenyl]-2-(methylamino)ethanol
CID 170956162
4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-N-propylbenzamide
CID 142960008
[(1Z,3E,5Z)-3-methyl-1,2-diphenylhepta-1,3,5-trienyl]-diphenylborane
CID 173478367
1-ethyl-4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]benzene;[(3E,5Z)-hepta-1,3,5-trien-3-yl]benzene;1-methyl-4-phenylbenzene;[4-(4-methylphenyl)phenyl]-(4-phenylphenyl)phosphane
CID 143743025
N-[4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]phenyl]naphthalen-2-amine
CID 145442455
4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1-pentylpyridin-1-ium
CID 166774716

Frequently Asked Questions

What is the IUPAC name of 1-[(2Z,4E,6E,9Z)-7-ethenyl-5-methyl-8-methylideneundeca-2,4,6,9-tetraen-6-yl]-4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]benzene?
The IUPAC name of 1-[(2Z,4E,6E,9Z)-7-ethenyl-5-methyl-8-methylideneundeca-2,4,6,9-tetraen-6-yl]-4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]benzene (CID 142935495) is 1-[(2Z,4E,6E,9Z)-7-ethenyl-5-methyl-8-methylideneundeca-2,4,6,9-tetraen-6-yl]-4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]benzene.
What is the SMILES notation for 1-[(2Z,4E,6E,9Z)-7-ethenyl-5-methyl-8-methylideneundeca-2,4,6,9-tetraen-6-yl]-4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]benzene?
The canonical SMILES for 1-[(2Z,4E,6E,9Z)-7-ethenyl-5-methyl-8-methylideneundeca-2,4,6,9-tetraen-6-yl]-4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]benzene is C=C/C=C(\C=C/C)c1ccc(C(/C(C)=C/C=C\C)=C(\C=C)C(=C)/C=C\C)cc1.
What is the InChIKey of 1-[(2Z,4E,6E,9Z)-7-ethenyl-5-methyl-8-methylideneundeca-2,4,6,9-tetraen-6-yl]-4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]benzene?
The InChIKey is IRXCQNKGENLLFR-KWXZGAGQSA-N. The full InChI is InChI=1S/C28H32/c1-8-13-17-23(7)28(27(12-5)22(6)14-9-2)26-20-18-25(19-21-26)24(15-10-3)16-11-4/h8-21H,3,5-6H2,1-2,4,7H3/b13-8-,14-9-,16-11-,23-17+,24-15+,28-27+.
What are the key properties of 1-[(2Z,4E,6E,9Z)-7-ethenyl-5-methyl-8-methylideneundeca-2,4,6,9-tetraen-6-yl]-4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]benzene?
1-[(2Z,4E,6E,9Z)-7-ethenyl-5-methyl-8-methylideneundeca-2,4,6,9-tetraen-6-yl]-4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]benzene has a molecular weight of 368.56 g/mol, XLogP of 8.43, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2Z,4E,6E,9Z)-7-ethenyl-5-methyl-8-methylideneundeca-2,4,6,9-tetraen-6-yl]-4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]benzene is sourced from PubChem (CID 142935495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).