(6E,10E)-12-hydroxy-6,10-dimethyldodeca-6,10-dien-2-one

C14H24O2 — CID 11009617

IUPAC(6E,10E)-12-hydroxy-6,10-dimethyldodeca-6,10-dien-2-one
SMILESCC(=O)CCC/C(C)=C/CC/C(C)=C/CO
InChIInChI=1S/C14H24O2/c1-12(8-5-9-14(3)16)6-4-7-13(2)10-11-15/h6,10,15H,4-5,7-9,11H2,1-3H3/b12-6+,13-10+
InChIKeyVZDNKMDQWSQDRS-WAAHFECUSA-N
MW224.34 g/mol
LogP3.41
Rot. Bonds8

About (6E,10E)-12-hydroxy-6,10-dimethyldodeca-6,10-dien-2-one

(6E,10E)-12-hydroxy-6,10-dimethyldodeca-6,10-dien-2-one (PubChem CID 11009617) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is (6E,10E)-12-hydroxy-6,10-dimethyldodeca-6,10-dien-2-one.

Molecular Properties

Compound Name(6E,10E)-12-hydroxy-6,10-dimethyldodeca-6,10-dien-2-one
PubChem CID11009617
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name(6E,10E)-12-hydroxy-6,10-dimethyldodeca-6,10-dien-2-one
SMILESCC(=O)CCC/C(C)=C/CC/C(C)=C/CO
InChIInChI=1S/C14H24O2/c1-12(8-5-9-14(3)16)6-4-7-13(2)10-11-15/h6,10,15H,4-5,7-9,11H2,1-3H3/b12-6+,13-10+
InChIKeyVZDNKMDQWSQDRS-WAAHFECUSA-N
XLogP3.41
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (6E,10E)-12-hydroxy-6,10-dimethyldodeca-6,10-dien-2-one?
The IUPAC name of (6E,10E)-12-hydroxy-6,10-dimethyldodeca-6,10-dien-2-one (CID 11009617) is (6E,10E)-12-hydroxy-6,10-dimethyldodeca-6,10-dien-2-one.
What is the SMILES notation for (6E,10E)-12-hydroxy-6,10-dimethyldodeca-6,10-dien-2-one?
The canonical SMILES for (6E,10E)-12-hydroxy-6,10-dimethyldodeca-6,10-dien-2-one is CC(=O)CCC/C(C)=C/CC/C(C)=C/CO.
What is the InChIKey of (6E,10E)-12-hydroxy-6,10-dimethyldodeca-6,10-dien-2-one?
The InChIKey is VZDNKMDQWSQDRS-WAAHFECUSA-N. The full InChI is InChI=1S/C14H24O2/c1-12(8-5-9-14(3)16)6-4-7-13(2)10-11-15/h6,10,15H,4-5,7-9,11H2,1-3H3/b12-6+,13-10+.
What are the key properties of (6E,10E)-12-hydroxy-6,10-dimethyldodeca-6,10-dien-2-one?
(6E,10E)-12-hydroxy-6,10-dimethyldodeca-6,10-dien-2-one has a molecular weight of 224.34 g/mol, XLogP of 3.41, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6E,10E)-12-hydroxy-6,10-dimethyldodeca-6,10-dien-2-one is sourced from PubChem (CID 11009617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).