(5E,7E,9E,11E)-12-(2,6-dimethylcyclohexen-1-yl)-6,10-dimethyldodeca-5,7,9,11-tetraen-2-one

C22H32O — CID 143095132

IUPAC(5E,7E,9E,11E)-12-(2,6-dimethylcyclohexen-1-yl)-6,10-dimethyldodeca-5,7,9,11-tetraen-2-one
SMILESCC(=O)CC/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)CCCC1C
InChIInChI=1S/C22H32O/c1-17(11-7-14-21(5)23)9-6-10-18(2)15-16-22-19(3)12-8-13-20(22)4/h6,9-11,15-16,19H,7-8,12-14H2,1-5H3/b9-6+,16-15+,17-11+,18-10+
InChIKeyBJNAMWNMNXOZEY-HWEQEQJXSA-N
MW312.50 g/mol
LogP6.50
Rot. Bonds7

About (5E,7E,9E,11E)-12-(2,6-dimethylcyclohexen-1-yl)-6,10-dimethyldodeca-5,7,9,11-tetraen-2-one

(5E,7E,9E,11E)-12-(2,6-dimethylcyclohexen-1-yl)-6,10-dimethyldodeca-5,7,9,11-tetraen-2-one (PubChem CID 143095132) has the molecular formula C22H32O and a molecular weight of 312.50 g/mol. Its IUPAC name is (5E,7E,9E,11E)-12-(2,6-dimethylcyclohexen-1-yl)-6,10-dimethyldodeca-5,7,9,11-tetraen-2-one.

Molecular Properties

Compound Name(5E,7E,9E,11E)-12-(2,6-dimethylcyclohexen-1-yl)-6,10-dimethyldodeca-5,7,9,11-tetraen-2-one
PubChem CID143095132
Molecular FormulaC22H32O
Molecular Weight312.50 g/mol
Exact Mass312.25
IUPAC Name(5E,7E,9E,11E)-12-(2,6-dimethylcyclohexen-1-yl)-6,10-dimethyldodeca-5,7,9,11-tetraen-2-one
SMILESCC(=O)CC/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)CCCC1C
InChIInChI=1S/C22H32O/c1-17(11-7-14-21(5)23)9-6-10-18(2)15-16-22-19(3)12-8-13-20(22)4/h6,9-11,15-16,19H,7-8,12-14H2,1-5H3/b9-6+,16-15+,17-11+,18-10+
InChIKeyBJNAMWNMNXOZEY-HWEQEQJXSA-N
XLogP6.50
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.50
LogP ≤ 56.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5E,7E,9E,11E)-12-(2,6-dimethylcyclohexen-1-yl)-6,10-dimethyldodeca-5,7,9,11-tetraen-2-one?
The IUPAC name of (5E,7E,9E,11E)-12-(2,6-dimethylcyclohexen-1-yl)-6,10-dimethyldodeca-5,7,9,11-tetraen-2-one (CID 143095132) is (5E,7E,9E,11E)-12-(2,6-dimethylcyclohexen-1-yl)-6,10-dimethyldodeca-5,7,9,11-tetraen-2-one.
What is the SMILES notation for (5E,7E,9E,11E)-12-(2,6-dimethylcyclohexen-1-yl)-6,10-dimethyldodeca-5,7,9,11-tetraen-2-one?
The canonical SMILES for (5E,7E,9E,11E)-12-(2,6-dimethylcyclohexen-1-yl)-6,10-dimethyldodeca-5,7,9,11-tetraen-2-one is CC(=O)CC/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)CCCC1C.
What is the InChIKey of (5E,7E,9E,11E)-12-(2,6-dimethylcyclohexen-1-yl)-6,10-dimethyldodeca-5,7,9,11-tetraen-2-one?
The InChIKey is BJNAMWNMNXOZEY-HWEQEQJXSA-N. The full InChI is InChI=1S/C22H32O/c1-17(11-7-14-21(5)23)9-6-10-18(2)15-16-22-19(3)12-8-13-20(22)4/h6,9-11,15-16,19H,7-8,12-14H2,1-5H3/b9-6+,16-15+,17-11+,18-10+.
What are the key properties of (5E,7E,9E,11E)-12-(2,6-dimethylcyclohexen-1-yl)-6,10-dimethyldodeca-5,7,9,11-tetraen-2-one?
(5E,7E,9E,11E)-12-(2,6-dimethylcyclohexen-1-yl)-6,10-dimethyldodeca-5,7,9,11-tetraen-2-one has a molecular weight of 312.50 g/mol, XLogP of 6.50, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5E,7E,9E,11E)-12-(2,6-dimethylcyclohexen-1-yl)-6,10-dimethyldodeca-5,7,9,11-tetraen-2-one is sourced from PubChem (CID 143095132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).