1-[(1E)-1-cyclohexa-2,4-dien-1-ylidene-3-methylpentyl]-3-[(1Z)-1-cyclohexa-2,4-dien-1-ylidene-3-methylpentyl]benzene

C30H38 — CID 137161158

IUPAC1-[(1E)-1-cyclohexa-2,4-dien-1-ylidene-3-methylpentyl]-3-[(1Z)-1-cyclohexa-2,4-dien-1-ylidene-3-methylpentyl]benzene
SMILESCCC(C)C/C(=C1/C=CC=CC1)c1cccc(/C(CC(C)CC)=C2/C=CC=CC2)c1
InChIInChI=1S/C30H38/c1-5-23(3)20-29(25-14-9-7-10-15-25)27-18-13-19-28(22-27)30(21-24(4)6-2)26-16-11-8-12-17-26/h7-14,16,18-19,22-24H,5-6,15,17,20-21H2,1-4H3/b29-25-,30-26+
InChIKeyKFEBUMSGQUCBFX-ZUSIYWPSSA-N
MW398.63 g/mol
LogP9.10
Rot. Bonds8

About 1-[(1E)-1-cyclohexa-2,4-dien-1-ylidene-3-methylpentyl]-3-[(1Z)-1-cyclohexa-2,4-dien-1-ylidene-3-methylpentyl]benzene

1-[(1E)-1-cyclohexa-2,4-dien-1-ylidene-3-methylpentyl]-3-[(1Z)-1-cyclohexa-2,4-dien-1-ylidene-3-methylpentyl]benzene (PubChem CID 137161158) has the molecular formula C30H38 and a molecular weight of 398.63 g/mol. Its IUPAC name is 1-[(1E)-1-cyclohexa-2,4-dien-1-ylidene-3-methylpentyl]-3-[(1Z)-1-cyclohexa-2,4-dien-1-ylidene-3-methylpentyl]benzene.

Molecular Properties

Compound Name1-[(1E)-1-cyclohexa-2,4-dien-1-ylidene-3-methylpentyl]-3-[(1Z)-1-cyclohexa-2,4-dien-1-ylidene-3-methylpentyl]benzene
PubChem CID137161158
Molecular FormulaC30H38
Molecular Weight398.63 g/mol
Exact Mass398.30
IUPAC Name1-[(1E)-1-cyclohexa-2,4-dien-1-ylidene-3-methylpentyl]-3-[(1Z)-1-cyclohexa-2,4-dien-1-ylidene-3-methylpentyl]benzene
SMILESCCC(C)C/C(=C1/C=CC=CC1)c1cccc(/C(CC(C)CC)=C2/C=CC=CC2)c1
InChIInChI=1S/C30H38/c1-5-23(3)20-29(25-14-9-7-10-15-25)27-18-13-19-28(22-27)30(21-24(4)6-2)26-16-11-8-12-17-26/h7-14,16,18-19,22-24H,5-6,15,17,20-21H2,1-4H3/b29-25-,30-26+
InChIKeyKFEBUMSGQUCBFX-ZUSIYWPSSA-N
XLogP9.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.63
LogP ≤ 59.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-[(1E)-1-cyclohexa-2,4-dien-1-ylidene-3-methylpentyl]-3-[(1Z)-1-cyclohexa-2,4-dien-1-ylidene-3-methylpentyl]benzene with MolForge

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Related Compounds

1,3-bis[(2S)-2-methylbutyl]benzene
CID 102208674
ethane;(3S)-3-methylpentanamide;1-phenylethanone
CID 163293272
benzene-1,3-dicarboxylic acid;bis(4-methylhexane-1,1-diol)
CID 70538106
bis(3-methylpentyl) benzene-1,3-dicarboxylate
CID 67161864
1-(3-chlorophenyl)-4-methylhexan-2-one
CID 62621128
3-methyl-N-phenacylpentanamide
CID 114874845
1-(3-fluorophenyl)-4-methylhexan-2-one
CID 62622297
3-methyl-1-[3-(trifluoromethoxy)phenyl]pentan-1-one
CID 114971379
5-methyl-1-(3-methylphenyl)heptan-3-one
CID 105091725
3-(5-methylheptan-3-ylamino)-N-propan-2-ylbenzamide
CID 43693956
1-(2,3-difluorophenyl)-4-methylhexan-2-one
CID 114875069
1-(3-aminophenyl)-5-methylheptan-3-one
CID 116603308

Frequently Asked Questions

What is the IUPAC name of 1-[(1E)-1-cyclohexa-2,4-dien-1-ylidene-3-methylpentyl]-3-[(1Z)-1-cyclohexa-2,4-dien-1-ylidene-3-methylpentyl]benzene?
The IUPAC name of 1-[(1E)-1-cyclohexa-2,4-dien-1-ylidene-3-methylpentyl]-3-[(1Z)-1-cyclohexa-2,4-dien-1-ylidene-3-methylpentyl]benzene (CID 137161158) is 1-[(1E)-1-cyclohexa-2,4-dien-1-ylidene-3-methylpentyl]-3-[(1Z)-1-cyclohexa-2,4-dien-1-ylidene-3-methylpentyl]benzene.
What is the SMILES notation for 1-[(1E)-1-cyclohexa-2,4-dien-1-ylidene-3-methylpentyl]-3-[(1Z)-1-cyclohexa-2,4-dien-1-ylidene-3-methylpentyl]benzene?
The canonical SMILES for 1-[(1E)-1-cyclohexa-2,4-dien-1-ylidene-3-methylpentyl]-3-[(1Z)-1-cyclohexa-2,4-dien-1-ylidene-3-methylpentyl]benzene is CCC(C)C/C(=C1/C=CC=CC1)c1cccc(/C(CC(C)CC)=C2/C=CC=CC2)c1.
What is the InChIKey of 1-[(1E)-1-cyclohexa-2,4-dien-1-ylidene-3-methylpentyl]-3-[(1Z)-1-cyclohexa-2,4-dien-1-ylidene-3-methylpentyl]benzene?
The InChIKey is KFEBUMSGQUCBFX-ZUSIYWPSSA-N. The full InChI is InChI=1S/C30H38/c1-5-23(3)20-29(25-14-9-7-10-15-25)27-18-13-19-28(22-27)30(21-24(4)6-2)26-16-11-8-12-17-26/h7-14,16,18-19,22-24H,5-6,15,17,20-21H2,1-4H3/b29-25-,30-26+.
What are the key properties of 1-[(1E)-1-cyclohexa-2,4-dien-1-ylidene-3-methylpentyl]-3-[(1Z)-1-cyclohexa-2,4-dien-1-ylidene-3-methylpentyl]benzene?
1-[(1E)-1-cyclohexa-2,4-dien-1-ylidene-3-methylpentyl]-3-[(1Z)-1-cyclohexa-2,4-dien-1-ylidene-3-methylpentyl]benzene has a molecular weight of 398.63 g/mol, XLogP of 9.10, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1E)-1-cyclohexa-2,4-dien-1-ylidene-3-methylpentyl]-3-[(1Z)-1-cyclohexa-2,4-dien-1-ylidene-3-methylpentyl]benzene is sourced from PubChem (CID 137161158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).