(3Z,7Z,11E,14S)-3,7,11-trimethyl-14-prop-1-en-2-ylcyclotetradeca-3,7,11-trien-1-one

C20H30O — CID 6443383

IUPAC(3Z,7Z,11E,14S)-3,7,11-trimethyl-14-prop-1-en-2-ylcyclotetradeca-3,7,11-trien-1-one
SMILESC=C(C)[C@@H]1C/C=C(\C)CC/C=C(/C)CC/C=C(/C)CC1=O
InChIInChI=1S/C20H30O/c1-15(2)19-13-12-17(4)10-6-8-16(3)9-7-11-18(5)14-20(19)21/h8,11-12,19H,1,6-7,9-10,13-14H2,2-5H3/b16-8-,17-12+,18-11-/t19-/m0/s1
InChIKeyFHFFESCITRPPTG-XECYNXTNSA-N
MW286.46 g/mol
LogP5.94
Rot. Bonds1

About (3Z,7Z,11E,14S)-3,7,11-trimethyl-14-prop-1-en-2-ylcyclotetradeca-3,7,11-trien-1-one

(3Z,7Z,11E,14S)-3,7,11-trimethyl-14-prop-1-en-2-ylcyclotetradeca-3,7,11-trien-1-one (PubChem CID 6443383) has the molecular formula C20H30O and a molecular weight of 286.46 g/mol. Its IUPAC name is (3Z,7Z,11E,14S)-3,7,11-trimethyl-14-prop-1-en-2-ylcyclotetradeca-3,7,11-trien-1-one.

Molecular Properties

Compound Name(3Z,7Z,11E,14S)-3,7,11-trimethyl-14-prop-1-en-2-ylcyclotetradeca-3,7,11-trien-1-one
PubChem CID6443383
Molecular FormulaC20H30O
Molecular Weight286.46 g/mol
Exact Mass286.23
IUPAC Name(3Z,7Z,11E,14S)-3,7,11-trimethyl-14-prop-1-en-2-ylcyclotetradeca-3,7,11-trien-1-one
SMILESC=C(C)[C@@H]1C/C=C(\C)CC/C=C(/C)CC/C=C(/C)CC1=O
InChIInChI=1S/C20H30O/c1-15(2)19-13-12-17(4)10-6-8-16(3)9-7-11-18(5)14-20(19)21/h8,11-12,19H,1,6-7,9-10,13-14H2,2-5H3/b16-8-,17-12+,18-11-/t19-/m0/s1
InChIKeyFHFFESCITRPPTG-XECYNXTNSA-N
XLogP5.94
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.46
LogP ≤ 55.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (3Z,7Z,11E,14S)-3,7,11-trimethyl-14-prop-1-en-2-ylcyclotetradeca-3,7,11-trien-1-one with MolForge

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Launch Full Analysis

Related Compounds

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(1S,3E,7E,11E)-3,7,11-trimethyl-14-prop-1-en-2-ylcyclotetradeca-3,7,11-trien-1-ol
CID 14217911
(1S,2Z,6Z,10E,13S)-2,6,10-trimethyl-13-prop-1-en-2-ylcyclotetradeca-2,6,10-trien-1-ol
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4-methyl-2-methylidenecyclohept-4-en-1-one
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(1R,7R)-4,10-dimethyl-14-methylidene-7-prop-1-en-2-ylcyclotetradeca-4,10-dien-1-ol
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2-[(1R,3E,7E,10R)-10-hydroxy-4,8-dimethylcyclodeca-3,7-dien-1-yl]prop-2-enoic acid
CID 90657347
2-[(1R,3E,7E,11Z)-4,8,12-trimethylcyclotetradeca-3,7,11-trien-1-yl]prop-2-en-1-ol
CID 162979142
2-[(1R,3Z,7Z)-4,8-dimethylcyclodeca-3,7-dien-1-yl]prop-1-en-1-one
CID 87760907
2-[(1R)-4,8-dimethylcyclodeca-3,7-dien-1-yl]prop-1-en-1-one
CID 90888047
(3Z,7E,11Z)-3,7,11-trimethylbicyclo[12.2.2]octadeca-1(16),3,7,11,14(18)-pentaene-15,17-dione
CID 10591064

Frequently Asked Questions

What is the IUPAC name of (3Z,7Z,11E,14S)-3,7,11-trimethyl-14-prop-1-en-2-ylcyclotetradeca-3,7,11-trien-1-one?
The IUPAC name of (3Z,7Z,11E,14S)-3,7,11-trimethyl-14-prop-1-en-2-ylcyclotetradeca-3,7,11-trien-1-one (CID 6443383) is (3Z,7Z,11E,14S)-3,7,11-trimethyl-14-prop-1-en-2-ylcyclotetradeca-3,7,11-trien-1-one.
What is the SMILES notation for (3Z,7Z,11E,14S)-3,7,11-trimethyl-14-prop-1-en-2-ylcyclotetradeca-3,7,11-trien-1-one?
The canonical SMILES for (3Z,7Z,11E,14S)-3,7,11-trimethyl-14-prop-1-en-2-ylcyclotetradeca-3,7,11-trien-1-one is C=C(C)[C@@H]1C/C=C(\C)CC/C=C(/C)CC/C=C(/C)CC1=O.
What is the InChIKey of (3Z,7Z,11E,14S)-3,7,11-trimethyl-14-prop-1-en-2-ylcyclotetradeca-3,7,11-trien-1-one?
The InChIKey is FHFFESCITRPPTG-XECYNXTNSA-N. The full InChI is InChI=1S/C20H30O/c1-15(2)19-13-12-17(4)10-6-8-16(3)9-7-11-18(5)14-20(19)21/h8,11-12,19H,1,6-7,9-10,13-14H2,2-5H3/b16-8-,17-12+,18-11-/t19-/m0/s1.
What are the key properties of (3Z,7Z,11E,14S)-3,7,11-trimethyl-14-prop-1-en-2-ylcyclotetradeca-3,7,11-trien-1-one?
(3Z,7Z,11E,14S)-3,7,11-trimethyl-14-prop-1-en-2-ylcyclotetradeca-3,7,11-trien-1-one has a molecular weight of 286.46 g/mol, XLogP of 5.94, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,7Z,11E,14S)-3,7,11-trimethyl-14-prop-1-en-2-ylcyclotetradeca-3,7,11-trien-1-one is sourced from PubChem (CID 6443383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).