(6E,10Z)-12-hydroxy-2,6,10-trimethyldodeca-1,6,10-trien-3-one

C15H24O2 — CID 86742985

IUPAC(6E,10Z)-12-hydroxy-2,6,10-trimethyldodeca-1,6,10-trien-3-one
SMILESC=C(C)C(=O)CC/C(C)=C/CC/C(C)=C\CO
InChIInChI=1S/C15H24O2/c1-12(2)15(17)9-8-13(3)6-5-7-14(4)10-11-16/h6,10,16H,1,5,7-9,11H2,2-4H3/b13-6+,14-10-
InChIKeyAWZAFAUNKFOFAD-DWOKAIGUSA-N
MW236.35 g/mol
LogP3.58
Rot. Bonds8

About (6E,10Z)-12-hydroxy-2,6,10-trimethyldodeca-1,6,10-trien-3-one

(6E,10Z)-12-hydroxy-2,6,10-trimethyldodeca-1,6,10-trien-3-one (PubChem CID 86742985) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is (6E,10Z)-12-hydroxy-2,6,10-trimethyldodeca-1,6,10-trien-3-one.

Molecular Properties

Compound Name(6E,10Z)-12-hydroxy-2,6,10-trimethyldodeca-1,6,10-trien-3-one
PubChem CID86742985
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name(6E,10Z)-12-hydroxy-2,6,10-trimethyldodeca-1,6,10-trien-3-one
SMILESC=C(C)C(=O)CC/C(C)=C/CC/C(C)=C\CO
InChIInChI=1S/C15H24O2/c1-12(2)15(17)9-8-13(3)6-5-7-14(4)10-11-16/h6,10,16H,1,5,7-9,11H2,2-4H3/b13-6+,14-10-
InChIKeyAWZAFAUNKFOFAD-DWOKAIGUSA-N
XLogP3.58
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

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CID 56612605
3,7,11-trimethyl-10-oxododeca-2,6,11-trienoic acid
CID 54551052
methyl (4E,8E)-10-hydroxy-4,8-dimethyldeca-4,8-dienoate
CID 11680207
(2Z,6E,10E,14E)-3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaen-1-ol
CID 90659053
(2E,6E,10E,14E,18E,22E,26Z,30Z,34Z)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-decaen-1-ol
CID 172806438
9-hydroxy-3,7-dimethylnona-3,7-dienoic acid
CID 54505470
(2E,7E,11E)-13-hydroxy-7,11-dimethyltrideca-2,7,11-trien-4-one
CID 21242335
(3E,7E)-9-hydroxy-3,7-dimethylnona-3,7-dien-2-one
CID 87428848
acetic acid;8-bromo-3,7-dimethylocta-2,6-dien-1-ol
CID 71360649
(2E)-3,7-dimethylocta-2,6-dien-1-ol;hydrochloride
CID 126649589
(6E)-8-hydroxy-2,6-dimethylocta-2,6-diene-1-sulfonic acid
CID 151449902
(2E,6E,10E,14E)-16-methoxy-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-ol
CID 101334323

Frequently Asked Questions

What is the IUPAC name of (6E,10Z)-12-hydroxy-2,6,10-trimethyldodeca-1,6,10-trien-3-one?
The IUPAC name of (6E,10Z)-12-hydroxy-2,6,10-trimethyldodeca-1,6,10-trien-3-one (CID 86742985) is (6E,10Z)-12-hydroxy-2,6,10-trimethyldodeca-1,6,10-trien-3-one.
What is the SMILES notation for (6E,10Z)-12-hydroxy-2,6,10-trimethyldodeca-1,6,10-trien-3-one?
The canonical SMILES for (6E,10Z)-12-hydroxy-2,6,10-trimethyldodeca-1,6,10-trien-3-one is C=C(C)C(=O)CC/C(C)=C/CC/C(C)=C\CO.
What is the InChIKey of (6E,10Z)-12-hydroxy-2,6,10-trimethyldodeca-1,6,10-trien-3-one?
The InChIKey is AWZAFAUNKFOFAD-DWOKAIGUSA-N. The full InChI is InChI=1S/C15H24O2/c1-12(2)15(17)9-8-13(3)6-5-7-14(4)10-11-16/h6,10,16H,1,5,7-9,11H2,2-4H3/b13-6+,14-10-.
What are the key properties of (6E,10Z)-12-hydroxy-2,6,10-trimethyldodeca-1,6,10-trien-3-one?
(6E,10Z)-12-hydroxy-2,6,10-trimethyldodeca-1,6,10-trien-3-one has a molecular weight of 236.35 g/mol, XLogP of 3.58, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6E,10Z)-12-hydroxy-2,6,10-trimethyldodeca-1,6,10-trien-3-one is sourced from PubChem (CID 86742985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).