1-[(5Z,7Z)-3,7-dimethyl-4-methylidenedeca-5,7-dien-3-yl]-4-[2-(4-methylphenyl)butan-2-yl]benzene

C30H40 — CID 177060087

IUPAC1-[(5Z,7Z)-3,7-dimethyl-4-methylidenedeca-5,7-dien-3-yl]-4-[2-(4-methylphenyl)butan-2-yl]benzene
SMILESC=C(/C=C\C(C)=C/CC)C(C)(CC)c1ccc(C(C)(CC)c2ccc(C)cc2)cc1
InChIInChI=1S/C30H40/c1-9-12-23(4)13-16-25(6)29(7,10-2)26-19-21-28(22-20-26)30(8,11-3)27-17-14-24(5)15-18-27/h12-22H,6,9-11H2,1-5,7-8H3/b16-13-,23-12-
InChIKeyIGXZQSDSBMDKIN-IDLCZDEZSA-N
MW400.65 g/mol
LogP8.85
Rot. Bonds9

About 1-[(5Z,7Z)-3,7-dimethyl-4-methylidenedeca-5,7-dien-3-yl]-4-[2-(4-methylphenyl)butan-2-yl]benzene

1-[(5Z,7Z)-3,7-dimethyl-4-methylidenedeca-5,7-dien-3-yl]-4-[2-(4-methylphenyl)butan-2-yl]benzene (PubChem CID 177060087) has the molecular formula C30H40 and a molecular weight of 400.65 g/mol. Its IUPAC name is 1-[(5Z,7Z)-3,7-dimethyl-4-methylidenedeca-5,7-dien-3-yl]-4-[2-(4-methylphenyl)butan-2-yl]benzene.

Molecular Properties

Compound Name1-[(5Z,7Z)-3,7-dimethyl-4-methylidenedeca-5,7-dien-3-yl]-4-[2-(4-methylphenyl)butan-2-yl]benzene
PubChem CID177060087
Molecular FormulaC30H40
Molecular Weight400.65 g/mol
Exact Mass400.31
IUPAC Name1-[(5Z,7Z)-3,7-dimethyl-4-methylidenedeca-5,7-dien-3-yl]-4-[2-(4-methylphenyl)butan-2-yl]benzene
SMILESC=C(/C=C\C(C)=C/CC)C(C)(CC)c1ccc(C(C)(CC)c2ccc(C)cc2)cc1
InChIInChI=1S/C30H40/c1-9-12-23(4)13-16-25(6)29(7,10-2)26-19-21-28(22-20-26)30(8,11-3)27-17-14-24(5)15-18-27/h12-22H,6,9-11H2,1-5,7-8H3/b16-13-,23-12-
InChIKeyIGXZQSDSBMDKIN-IDLCZDEZSA-N
XLogP8.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.65
LogP ≤ 58.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-4-[2-[4-[2-(4-methylphenyl)butan-2-yl]phenyl]propan-2-yl]benzene
CID 145063959
1-methyl-4-(2-phenylbutan-2-yl)benzene
CID 173298051
1-methyl-4-[(4Z,6Z)-6-methyl-2-(4-methylphenyl)octa-4,6-dien-2-yl]benzene
CID 143119388
1-[3,4-dimethyl-4-(4-methylphenyl)hexan-3-yl]-4-methylbenzene
CID 22277896
1-methyl-4-[(3Z,5Z)-5-methylocta-3,5-dienyl]benzene
CID 170701365
(3Z,5Z)-N,5-dimethylocta-1,3,5-trien-2-amine
CID 166102143
1-(1,1-difluoroethyl)-4-methylbenzene;ethane;(Z)-3-methylhex-3-en-2-imine
CID 176922631
4-[2-(3,4-dimethylphenyl)butan-2-yl]-1,2-dimethylbenzene;1-methyl-4-(4-methylphenoxy)benzene
CID 159088211
3-tert-butyl-6-methyl-9-[(E)-pent-2-en-2-yl]carbazole
CID 134301732
(5Z)-2-methyl-6-methylidene-5-[(Z)-2-methylpent-2-enylidene]cyclohexa-1,3-diene
CID 143566658
ethane;(3Z)-2-fluoro-5-methylhexa-1,3,5-triene;1-methyl-4-(trifluoromethyl)benzene
CID 143383133
ethane;methanol;2-methyl-2-(4-methylphenyl)pentan-3-one
CID 143507442

Frequently Asked Questions

What is the IUPAC name of 1-[(5Z,7Z)-3,7-dimethyl-4-methylidenedeca-5,7-dien-3-yl]-4-[2-(4-methylphenyl)butan-2-yl]benzene?
The IUPAC name of 1-[(5Z,7Z)-3,7-dimethyl-4-methylidenedeca-5,7-dien-3-yl]-4-[2-(4-methylphenyl)butan-2-yl]benzene (CID 177060087) is 1-[(5Z,7Z)-3,7-dimethyl-4-methylidenedeca-5,7-dien-3-yl]-4-[2-(4-methylphenyl)butan-2-yl]benzene.
What is the SMILES notation for 1-[(5Z,7Z)-3,7-dimethyl-4-methylidenedeca-5,7-dien-3-yl]-4-[2-(4-methylphenyl)butan-2-yl]benzene?
The canonical SMILES for 1-[(5Z,7Z)-3,7-dimethyl-4-methylidenedeca-5,7-dien-3-yl]-4-[2-(4-methylphenyl)butan-2-yl]benzene is C=C(/C=C\C(C)=C/CC)C(C)(CC)c1ccc(C(C)(CC)c2ccc(C)cc2)cc1.
What is the InChIKey of 1-[(5Z,7Z)-3,7-dimethyl-4-methylidenedeca-5,7-dien-3-yl]-4-[2-(4-methylphenyl)butan-2-yl]benzene?
The InChIKey is IGXZQSDSBMDKIN-IDLCZDEZSA-N. The full InChI is InChI=1S/C30H40/c1-9-12-23(4)13-16-25(6)29(7,10-2)26-19-21-28(22-20-26)30(8,11-3)27-17-14-24(5)15-18-27/h12-22H,6,9-11H2,1-5,7-8H3/b16-13-,23-12-.
What are the key properties of 1-[(5Z,7Z)-3,7-dimethyl-4-methylidenedeca-5,7-dien-3-yl]-4-[2-(4-methylphenyl)butan-2-yl]benzene?
1-[(5Z,7Z)-3,7-dimethyl-4-methylidenedeca-5,7-dien-3-yl]-4-[2-(4-methylphenyl)butan-2-yl]benzene has a molecular weight of 400.65 g/mol, XLogP of 8.85, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5Z,7Z)-3,7-dimethyl-4-methylidenedeca-5,7-dien-3-yl]-4-[2-(4-methylphenyl)butan-2-yl]benzene is sourced from PubChem (CID 177060087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).