12-hydroxy-2,6,10-trimethyldodeca-2,6,10-trien-4-one

C15H24O2 — CID 78385385

IUPAC12-hydroxy-2,6,10-trimethyldodeca-2,6,10-trien-4-one
SMILESCC(C)=CC(=O)CC(C)=CCCC(C)=CCO
InChIInChI=1S/C15H24O2/c1-12(2)10-15(17)11-14(4)7-5-6-13(3)8-9-16/h7-8,10,16H,5-6,9,11H2,1-4H3
InChIKeyVCXVMWVWGVWZPY-UHFFFAOYSA-N
MW236.35 g/mol
LogP3.58
Rot. Bonds7

About 12-hydroxy-2,6,10-trimethyldodeca-2,6,10-trien-4-one

12-hydroxy-2,6,10-trimethyldodeca-2,6,10-trien-4-one (PubChem CID 78385385) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is 12-hydroxy-2,6,10-trimethyldodeca-2,6,10-trien-4-one.

Molecular Properties

Compound Name12-hydroxy-2,6,10-trimethyldodeca-2,6,10-trien-4-one
PubChem CID78385385
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name12-hydroxy-2,6,10-trimethyldodeca-2,6,10-trien-4-one
SMILESCC(C)=CC(=O)CC(C)=CCCC(C)=CCO
InChIInChI=1S/C15H24O2/c1-12(2)10-15(17)11-14(4)7-5-6-13(3)8-9-16/h7-8,10,16H,5-6,9,11H2,1-4H3
InChIKeyVCXVMWVWGVWZPY-UHFFFAOYSA-N
XLogP3.58
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
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 11412603
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CID 6439034
(6E)-8-hydroxygeranial
CID 13895495
(2E,6E)-1-Hydroxy-2,6,10-farnesatrien-9-one
CID 101648402
Chabrolobenzoquinone E
CID 5326350
(5E,9E,13Z)-15-hydroxy-6,10,14-trimethylpentadeca-5,9,13-trien-2-one
CID 44586967
Hedaol B
CID 10062117
(3E,7E,10E)-10-(1-Hydroxypropan-2-ylidene)-3,7-dimethylcyclodeca-3,7-dien-1-one
CID 10399140
e-2-Methyl-2-hepten-6-one-1-ol
CID 10964618
Oxocrinol
CID 11009617
(6E,14E)-16-hydroxy-2,6,14-trimethyl-10-methylidenehexadeca-2,6,14-triene-4,11-dione
CID 14681718
(E)-8-hydroxy-6-methyl-6-octen-3-one
CID 643141

Frequently Asked Questions

What is the IUPAC name of 12-hydroxy-2,6,10-trimethyldodeca-2,6,10-trien-4-one?
The IUPAC name of 12-hydroxy-2,6,10-trimethyldodeca-2,6,10-trien-4-one (CID 78385385) is 12-hydroxy-2,6,10-trimethyldodeca-2,6,10-trien-4-one.
What is the SMILES notation for 12-hydroxy-2,6,10-trimethyldodeca-2,6,10-trien-4-one?
The canonical SMILES for 12-hydroxy-2,6,10-trimethyldodeca-2,6,10-trien-4-one is CC(C)=CC(=O)CC(C)=CCCC(C)=CCO.
What is the InChIKey of 12-hydroxy-2,6,10-trimethyldodeca-2,6,10-trien-4-one?
The InChIKey is VCXVMWVWGVWZPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O2/c1-12(2)10-15(17)11-14(4)7-5-6-13(3)8-9-16/h7-8,10,16H,5-6,9,11H2,1-4H3.
What are the key properties of 12-hydroxy-2,6,10-trimethyldodeca-2,6,10-trien-4-one?
12-hydroxy-2,6,10-trimethyldodeca-2,6,10-trien-4-one has a molecular weight of 236.35 g/mol, XLogP of 3.58, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 12-hydroxy-2,6,10-trimethyldodeca-2,6,10-trien-4-one is sourced from PubChem (CID 78385385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).