(5E)-7-hydroxy-6,10-dimethylundeca-5,9-dien-2-one

C13H22O2 — CID 91999240

IUPAC(5E)-7-hydroxy-6,10-dimethylundeca-5,9-dien-2-one
SMILESCC(=O)CC/C=C(\C)C(O)CC=C(C)C
InChIInChI=1S/C13H22O2/c1-10(2)8-9-13(15)11(3)6-5-7-12(4)14/h6,8,13,15H,5,7,9H2,1-4H3/b11-6+
InChIKeyDRPMNCHRRMKIHV-IZZDOVSWSA-N
MW210.32 g/mol
LogP3.02
Rot. Bonds6

About (5E)-7-hydroxy-6,10-dimethylundeca-5,9-dien-2-one

(5E)-7-hydroxy-6,10-dimethylundeca-5,9-dien-2-one (PubChem CID 91999240) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is (5E)-7-hydroxy-6,10-dimethylundeca-5,9-dien-2-one.

Molecular Properties

Compound Name(5E)-7-hydroxy-6,10-dimethylundeca-5,9-dien-2-one
PubChem CID91999240
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Name(5E)-7-hydroxy-6,10-dimethylundeca-5,9-dien-2-one
SMILESCC(=O)CC/C=C(\C)C(O)CC=C(C)C
InChIInChI=1S/C13H22O2/c1-10(2)8-9-13(15)11(3)6-5-7-12(4)14/h6,8,13,15H,5,7,9H2,1-4H3/b11-6+
InChIKeyDRPMNCHRRMKIHV-IZZDOVSWSA-N
XLogP3.02
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2E)-3,7-dimethylocta-2,6-diene-1,4-diol
CID 22323960
(2Z,4S)-3,7-dimethylocta-2,6-diene-1,4-diol
CID 154496007
[12-hydroxy-7-(hydroxymethyl)-3,11,15-trimethylhexadeca-2,6,10,14-tetraenyl] acetate
CID 163062353
2-hydroxy-5,9-dimethyldeca-4,8-dienoic acid
CID 173203738
2,6-dimethylhepta-2,5-diene;(3S)-3-hydroxy-6-methylhept-5-en-2-one
CID 160955603
2-[(2E,6E)-8-hydroxy-3,7,11-trimethyldodeca-2,6,10-trienyl]-4-methyl-2H-furan-5-one
CID 143713877
(3S)-2,6-dimethylhepta-1,5-dien-3-ol
CID 12774566
dimethyl 2-[(2E,6E)-8-hydroxy-3,7-dimethylundeca-2,6,10-trienyl]-2-(4-methylpent-3-enyl)propanedioate
CID 122233939
(Z,7R,8R)-6-bromo-8-hydroxy-7-methylnon-5-en-2-one
CID 101083243
2-methyl-6-oxohept-2-enoic acid
CID 85419897
4-hydroxy-3-[(4R)-4-hydroxy-3,7,11-trimethyldodeca-2,6,10-trienyl]benzoic acid
CID 163093580
4-hydroxy-3-[(4S)-4-hydroxy-3,7,11-trimethyldodeca-2,6,10-trienyl]benzoic acid
CID 163093579

Frequently Asked Questions

What is the IUPAC name of (5E)-7-hydroxy-6,10-dimethylundeca-5,9-dien-2-one?
The IUPAC name of (5E)-7-hydroxy-6,10-dimethylundeca-5,9-dien-2-one (CID 91999240) is (5E)-7-hydroxy-6,10-dimethylundeca-5,9-dien-2-one.
What is the SMILES notation for (5E)-7-hydroxy-6,10-dimethylundeca-5,9-dien-2-one?
The canonical SMILES for (5E)-7-hydroxy-6,10-dimethylundeca-5,9-dien-2-one is CC(=O)CC/C=C(\C)C(O)CC=C(C)C.
What is the InChIKey of (5E)-7-hydroxy-6,10-dimethylundeca-5,9-dien-2-one?
The InChIKey is DRPMNCHRRMKIHV-IZZDOVSWSA-N. The full InChI is InChI=1S/C13H22O2/c1-10(2)8-9-13(15)11(3)6-5-7-12(4)14/h6,8,13,15H,5,7,9H2,1-4H3/b11-6+.
What are the key properties of (5E)-7-hydroxy-6,10-dimethylundeca-5,9-dien-2-one?
(5E)-7-hydroxy-6,10-dimethylundeca-5,9-dien-2-one has a molecular weight of 210.32 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-7-hydroxy-6,10-dimethylundeca-5,9-dien-2-one is sourced from PubChem (CID 91999240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).