(Z)-3-methyl-15-[3-[(3Z,6Z)-nona-3,6-dienyl]cyclopentyl]pentadec-12-en-6-one

C30H52O — CID 160586685

IUPAC(Z)-3-methyl-15-[3-[(3Z,6Z)-nona-3,6-dienyl]cyclopentyl]pentadec-12-en-6-one
SMILESCC/C=C\C/C=C\CCC1CCC(CC/C=C\CCCCCC(=O)CCC(C)CC)C1
InChIInChI=1S/C30H52O/c1-4-6-7-8-10-13-16-19-28-23-24-29(26-28)20-17-14-11-9-12-15-18-21-30(31)25-22-27(3)5-2/h6-7,10-11,13-14,27-29H,4-5,8-9,12,15-26H2,1-3H3/b7-6-,13-10-,14-11-
InChIKeyZXRYCVKCASGPJL-GNZZTDHISA-N
MW428.75 g/mol
LogP9.78
Rot. Bonds19

About (Z)-3-methyl-15-[3-[(3Z,6Z)-nona-3,6-dienyl]cyclopentyl]pentadec-12-en-6-one

(Z)-3-methyl-15-[3-[(3Z,6Z)-nona-3,6-dienyl]cyclopentyl]pentadec-12-en-6-one (PubChem CID 160586685) has the molecular formula C30H52O and a molecular weight of 428.75 g/mol. Its IUPAC name is (Z)-3-methyl-15-[3-[(3Z,6Z)-nona-3,6-dienyl]cyclopentyl]pentadec-12-en-6-one.

Molecular Properties

Compound Name(Z)-3-methyl-15-[3-[(3Z,6Z)-nona-3,6-dienyl]cyclopentyl]pentadec-12-en-6-one
PubChem CID160586685
Molecular FormulaC30H52O
Molecular Weight428.75 g/mol
Exact Mass428.40
IUPAC Name(Z)-3-methyl-15-[3-[(3Z,6Z)-nona-3,6-dienyl]cyclopentyl]pentadec-12-en-6-one
SMILESCC/C=C\C/C=C\CCC1CCC(CC/C=C\CCCCCC(=O)CCC(C)CC)C1
InChIInChI=1S/C30H52O/c1-4-6-7-8-10-13-16-19-28-23-24-29(26-28)20-17-14-11-9-12-15-18-21-30(31)25-22-27(3)5-2/h6-7,10-11,13-14,27-29H,4-5,8-9,12,15-26H2,1-3H3/b7-6-,13-10-,14-11-
InChIKeyZXRYCVKCASGPJL-GNZZTDHISA-N
XLogP9.78
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds19
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.75
LogP ≤ 59.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (Z)-3-methyl-15-[3-[(3Z,6Z)-nona-3,6-dienyl]cyclopentyl]pentadec-12-en-6-one with MolForge

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Related Compounds

(12Z,15Z)-18-[3-[(Z)-hex-3-enyl]cyclopentyl]-3-methyloctadeca-12,15-dien-6-one
CID 160586684
23-pentadeca-6,9,12-trienylheptatetracontane-22,26-dione
CID 54175147
(9Z,12Z,15Z)-4-methyloctadeca-9,12,15-trienoic acid
CID 174445218
(6Z,9Z,12Z,25Z,28Z,31Z)-heptatriaconta-6,9,12,25,28,31-hexaen-19-one
CID 58205069
hexacosa-17,20-dien-9-one
CID 163047379
(20Z,23Z)-triaconta-20,23-dien-10-one
CID 126495161
(5Z,9Z,12Z,15Z,18Z,21Z,34S)-34-methylhexatriaconta-5,9,12,15,18,21-hexaenoic acid
CID 52921771
(8Z,11Z,14Z,17Z,20Z,23Z)-2-methylhexacosa-8,11,14,17,20,23-hexaen-5-one
CID 140692029
(12Z,15Z)-octadeca-12,15-dienoic acid
CID 5312453
(10Z,13Z,16Z,19Z,22Z,25Z)-octacosa-10,13,16,19,22,25-hexaenoic acid
CID 52921814
icosa-8,14,17-trienoic acid
CID 54189424
octacosa-10,13,16,19,22,25-hexaenoic acid
CID 75955160

Frequently Asked Questions

What is the IUPAC name of (Z)-3-methyl-15-[3-[(3Z,6Z)-nona-3,6-dienyl]cyclopentyl]pentadec-12-en-6-one?
The IUPAC name of (Z)-3-methyl-15-[3-[(3Z,6Z)-nona-3,6-dienyl]cyclopentyl]pentadec-12-en-6-one (CID 160586685) is (Z)-3-methyl-15-[3-[(3Z,6Z)-nona-3,6-dienyl]cyclopentyl]pentadec-12-en-6-one.
What is the SMILES notation for (Z)-3-methyl-15-[3-[(3Z,6Z)-nona-3,6-dienyl]cyclopentyl]pentadec-12-en-6-one?
The canonical SMILES for (Z)-3-methyl-15-[3-[(3Z,6Z)-nona-3,6-dienyl]cyclopentyl]pentadec-12-en-6-one is CC/C=C\C/C=C\CCC1CCC(CC/C=C\CCCCCC(=O)CCC(C)CC)C1.
What is the InChIKey of (Z)-3-methyl-15-[3-[(3Z,6Z)-nona-3,6-dienyl]cyclopentyl]pentadec-12-en-6-one?
The InChIKey is ZXRYCVKCASGPJL-GNZZTDHISA-N. The full InChI is InChI=1S/C30H52O/c1-4-6-7-8-10-13-16-19-28-23-24-29(26-28)20-17-14-11-9-12-15-18-21-30(31)25-22-27(3)5-2/h6-7,10-11,13-14,27-29H,4-5,8-9,12,15-26H2,1-3H3/b7-6-,13-10-,14-11-.
What are the key properties of (Z)-3-methyl-15-[3-[(3Z,6Z)-nona-3,6-dienyl]cyclopentyl]pentadec-12-en-6-one?
(Z)-3-methyl-15-[3-[(3Z,6Z)-nona-3,6-dienyl]cyclopentyl]pentadec-12-en-6-one has a molecular weight of 428.75 g/mol, XLogP of 9.78, 19 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-methyl-15-[3-[(3Z,6Z)-nona-3,6-dienyl]cyclopentyl]pentadec-12-en-6-one is sourced from PubChem (CID 160586685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).