9-hydroxy-4,7-dimethylnonan-3-one

C11H22O2 — CID 139899444

IUPAC9-hydroxy-4,7-dimethylnonan-3-one
SMILESCCC(=O)C(C)CCC(C)CCO
InChIInChI=1S/C11H22O2/c1-4-11(13)10(3)6-5-9(2)7-8-12/h9-10,12H,4-8H2,1-3H3
InChIKeyQPEYPUMZMCLOAI-UHFFFAOYSA-N
MW186.29 g/mol
LogP2.40
Rot. Bonds7

About 9-hydroxy-4,7-dimethylnonan-3-one

9-hydroxy-4,7-dimethylnonan-3-one (PubChem CID 139899444) has the molecular formula C11H22O2 and a molecular weight of 186.29 g/mol. Its IUPAC name is 9-hydroxy-4,7-dimethylnonan-3-one.

Molecular Properties

Compound Name9-hydroxy-4,7-dimethylnonan-3-one
PubChem CID139899444
Molecular FormulaC11H22O2
Molecular Weight186.29 g/mol
Exact Mass186.16
IUPAC Name9-hydroxy-4,7-dimethylnonan-3-one
SMILESCCC(=O)C(C)CCC(C)CCO
InChIInChI=1S/C11H22O2/c1-4-11(13)10(3)6-5-9(2)7-8-12/h9-10,12H,4-8H2,1-3H3
InChIKeyQPEYPUMZMCLOAI-UHFFFAOYSA-N
XLogP2.40
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.29
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4R)-4-methylheptan-3-one
CID 12696684
4-hydroxy-2-methylbutanoic acid;hydrochloride
CID 90219221
4-methyl-6-(3-methylbutoxy)hexan-3-one
CID 63550352
7-methoxy-4-methylheptan-3-one
CID 63548280
(4S)-4-methyl-6-nitrohexan-3-one
CID 143166775
7-ethylsulfonyl-4-methylheptan-3-one
CID 65097723
acetic acid;formic acid;3-methylpentane-1,5-diol
CID 87753829
1-hydroxy-4-methylheptan-3-one
CID 87401678
bis(hexanoic acid);3-methylpentane-1,5-diol
CID 87072933
4-methyloctane-3,6-dione
CID 14711976
10-amino-8-hydroxy-4,8-dimethylundecan-3-one
CID 143260657
(3R)-5-bromo-3-methylpentan-1-ol
CID 139766878

Frequently Asked Questions

What is the IUPAC name of 9-hydroxy-4,7-dimethylnonan-3-one?
The IUPAC name of 9-hydroxy-4,7-dimethylnonan-3-one (CID 139899444) is 9-hydroxy-4,7-dimethylnonan-3-one.
What is the SMILES notation for 9-hydroxy-4,7-dimethylnonan-3-one?
The canonical SMILES for 9-hydroxy-4,7-dimethylnonan-3-one is CCC(=O)C(C)CCC(C)CCO.
What is the InChIKey of 9-hydroxy-4,7-dimethylnonan-3-one?
The InChIKey is QPEYPUMZMCLOAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O2/c1-4-11(13)10(3)6-5-9(2)7-8-12/h9-10,12H,4-8H2,1-3H3.
What are the key properties of 9-hydroxy-4,7-dimethylnonan-3-one?
9-hydroxy-4,7-dimethylnonan-3-one has a molecular weight of 186.29 g/mol, XLogP of 2.40, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-hydroxy-4,7-dimethylnonan-3-one is sourced from PubChem (CID 139899444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).