2-[(2Z,4E,7E,8Z)-5-ethyl-6-methyl-11-phenyl-7-prop-2-enylideneundeca-2,4,8-trien-6-yl]cyclohepta-1,3,5-triene

C30H36 — CID 143420401

IUPAC2-[(2Z,4E,7E,8Z)-5-ethyl-6-methyl-11-phenyl-7-prop-2-enylideneundeca-2,4,8-trien-6-yl]cyclohepta-1,3,5-triene
SMILESC=C/C=C(\C=C/CCc1ccccc1)C(C)(C1=CCC=CC=C1)/C(=C/C=C\C)CC
InChIInChI=1S/C30H36/c1-5-8-22-27(7-3)30(4,29-23-14-9-10-15-24-29)28(18-6-2)25-17-16-21-26-19-12-11-13-20-26/h5-6,8-14,17-20,22-25H,2,7,15-16,21H2,1,3-4H3/b8-5-,25-17-,27-22+,28-18+
InChIKeyJZXIVOMDDDEJAZ-ZYMZATEGSA-N
MW396.62 g/mol
LogP8.65
Rot. Bonds10

About 2-[(2Z,4E,7E,8Z)-5-ethyl-6-methyl-11-phenyl-7-prop-2-enylideneundeca-2,4,8-trien-6-yl]cyclohepta-1,3,5-triene

2-[(2Z,4E,7E,8Z)-5-ethyl-6-methyl-11-phenyl-7-prop-2-enylideneundeca-2,4,8-trien-6-yl]cyclohepta-1,3,5-triene (PubChem CID 143420401) has the molecular formula C30H36 and a molecular weight of 396.62 g/mol. Its IUPAC name is 2-[(2Z,4E,7E,8Z)-5-ethyl-6-methyl-11-phenyl-7-prop-2-enylideneundeca-2,4,8-trien-6-yl]cyclohepta-1,3,5-triene.

Molecular Properties

Compound Name2-[(2Z,4E,7E,8Z)-5-ethyl-6-methyl-11-phenyl-7-prop-2-enylideneundeca-2,4,8-trien-6-yl]cyclohepta-1,3,5-triene
PubChem CID143420401
Molecular FormulaC30H36
Molecular Weight396.62 g/mol
Exact Mass396.28
IUPAC Name2-[(2Z,4E,7E,8Z)-5-ethyl-6-methyl-11-phenyl-7-prop-2-enylideneundeca-2,4,8-trien-6-yl]cyclohepta-1,3,5-triene
SMILESC=C/C=C(\C=C/CCc1ccccc1)C(C)(C1=CCC=CC=C1)/C(=C/C=C\C)CC
InChIInChI=1S/C30H36/c1-5-8-22-27(7-3)30(4,29-23-14-9-10-15-24-29)28(18-6-2)25-17-16-21-26-19-12-11-13-20-26/h5-6,8-14,17-20,22-25H,2,7,15-16,21H2,1,3-4H3/b8-5-,25-17-,27-22+,28-18+
InChIKeyJZXIVOMDDDEJAZ-ZYMZATEGSA-N
XLogP8.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.62
LogP ≤ 58.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 2-[(2Z,4E,7E,8Z)-5-ethyl-6-methyl-11-phenyl-7-prop-2-enylideneundeca-2,4,8-trien-6-yl]cyclohepta-1,3,5-triene with MolForge

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Related Compounds

[(3E,5Z)-hepta-3,5-dienyl]benzene
CID 12021636
hepta-3,5-dienylbenzene
CID 54230830
2-cyclohepta-1,4,6-trien-1-yl-2-phenylpropanoic acid
CID 142840576
pent-3-enylbenzene
CID 519421
2-methyl-6-phenylhex-3-en-2-ol
CID 73102528
(4E)-3-[(1S)-4-[(3E,5Z)-hepta-3,5-dien-3-yl]oxycyclohexa-2,4-dien-1-yl]-2-methyl-4-[(Z)-3-phenoxyprop-1-enyl]hepta-4,6-dien-3-ol
CID 88892883
(Z)-2-methyl-7-phenylhept-4-en-3-one
CID 101116591
1-[(2Z,4E,7E,9E)-5-ethenyl-6-phenyl-7-[(Z)-3-phenylprop-1-enyl]undeca-2,4,7,9-tetraen-6-yl]-4-methoxybenzene
CID 126516005
[(3E,5Z)-3-ethenyl-2-methylhepta-3,5-dien-2-yl]benzene
CID 142292724
[(3E,5Z)-1,9-diphenylnona-3,5-dien-5-yl]benzene
CID 16664377
ethane;[(3E)-2-methyl-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-yl]benzene
CID 142223865
ethane;[(3E,5Z)-3-ethenyl-2-phenylhepta-3,5-dien-2-yl]benzene
CID 163276575

Frequently Asked Questions

What is the IUPAC name of 2-[(2Z,4E,7E,8Z)-5-ethyl-6-methyl-11-phenyl-7-prop-2-enylideneundeca-2,4,8-trien-6-yl]cyclohepta-1,3,5-triene?
The IUPAC name of 2-[(2Z,4E,7E,8Z)-5-ethyl-6-methyl-11-phenyl-7-prop-2-enylideneundeca-2,4,8-trien-6-yl]cyclohepta-1,3,5-triene (CID 143420401) is 2-[(2Z,4E,7E,8Z)-5-ethyl-6-methyl-11-phenyl-7-prop-2-enylideneundeca-2,4,8-trien-6-yl]cyclohepta-1,3,5-triene.
What is the SMILES notation for 2-[(2Z,4E,7E,8Z)-5-ethyl-6-methyl-11-phenyl-7-prop-2-enylideneundeca-2,4,8-trien-6-yl]cyclohepta-1,3,5-triene?
The canonical SMILES for 2-[(2Z,4E,7E,8Z)-5-ethyl-6-methyl-11-phenyl-7-prop-2-enylideneundeca-2,4,8-trien-6-yl]cyclohepta-1,3,5-triene is C=C/C=C(\C=C/CCc1ccccc1)C(C)(C1=CCC=CC=C1)/C(=C/C=C\C)CC.
What is the InChIKey of 2-[(2Z,4E,7E,8Z)-5-ethyl-6-methyl-11-phenyl-7-prop-2-enylideneundeca-2,4,8-trien-6-yl]cyclohepta-1,3,5-triene?
The InChIKey is JZXIVOMDDDEJAZ-ZYMZATEGSA-N. The full InChI is InChI=1S/C30H36/c1-5-8-22-27(7-3)30(4,29-23-14-9-10-15-24-29)28(18-6-2)25-17-16-21-26-19-12-11-13-20-26/h5-6,8-14,17-20,22-25H,2,7,15-16,21H2,1,3-4H3/b8-5-,25-17-,27-22+,28-18+.
What are the key properties of 2-[(2Z,4E,7E,8Z)-5-ethyl-6-methyl-11-phenyl-7-prop-2-enylideneundeca-2,4,8-trien-6-yl]cyclohepta-1,3,5-triene?
2-[(2Z,4E,7E,8Z)-5-ethyl-6-methyl-11-phenyl-7-prop-2-enylideneundeca-2,4,8-trien-6-yl]cyclohepta-1,3,5-triene has a molecular weight of 396.62 g/mol, XLogP of 8.65, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2Z,4E,7E,8Z)-5-ethyl-6-methyl-11-phenyl-7-prop-2-enylideneundeca-2,4,8-trien-6-yl]cyclohepta-1,3,5-triene is sourced from PubChem (CID 143420401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).