2-hydroxy-6-methylnonan-3-one

C10H20O2 — CID 123192108

IUPAC2-hydroxy-6-methylnonan-3-one
SMILESCCCC(C)CCC(=O)C(C)O
InChIInChI=1S/C10H20O2/c1-4-5-8(2)6-7-10(12)9(3)11/h8-9,11H,4-7H2,1-3H3
InChIKeyVQEPRXDUVDFOOF-UHFFFAOYSA-N
MW172.27 g/mol
LogP2.15
Rot. Bonds6

About 2-hydroxy-6-methylnonan-3-one

2-hydroxy-6-methylnonan-3-one (PubChem CID 123192108) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is 2-hydroxy-6-methylnonan-3-one.

Molecular Properties

Compound Name2-hydroxy-6-methylnonan-3-one
PubChem CID123192108
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name2-hydroxy-6-methylnonan-3-one
SMILESCCCC(C)CCC(=O)C(C)O
InChIInChI=1S/C10H20O2/c1-4-5-8(2)6-7-10(12)9(3)11/h8-9,11H,4-7H2,1-3H3
InChIKeyVQEPRXDUVDFOOF-UHFFFAOYSA-N
XLogP2.15
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-hydroxy-6-methyldecan-3-one
CID 91029321
2-hydroxy-7-methyldecan-3-one
CID 91404937
4-methylheptanoyl chloride
CID 14234515
(6R)-6-methylnonan-3-one
CID 11805013
4,8-dimethylundecanoic acid
CID 25230729
(6S)-2,6-dimethyldecan-3-one
CID 71584493
4-methylheptane
CID 11512
4-methylheptane
CID 91413347
2-hydroxyicosan-3-one
CID 57023276
6-methylnon-1-en-3-one
CID 173408928
4-methylheptane;propane
CID 142171269
4,10-dimethyltridecan-7-ol
CID 10633137

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-6-methylnonan-3-one?
The IUPAC name of 2-hydroxy-6-methylnonan-3-one (CID 123192108) is 2-hydroxy-6-methylnonan-3-one.
What is the SMILES notation for 2-hydroxy-6-methylnonan-3-one?
The canonical SMILES for 2-hydroxy-6-methylnonan-3-one is CCCC(C)CCC(=O)C(C)O.
What is the InChIKey of 2-hydroxy-6-methylnonan-3-one?
The InChIKey is VQEPRXDUVDFOOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-4-5-8(2)6-7-10(12)9(3)11/h8-9,11H,4-7H2,1-3H3.
What are the key properties of 2-hydroxy-6-methylnonan-3-one?
2-hydroxy-6-methylnonan-3-one has a molecular weight of 172.27 g/mol, XLogP of 2.15, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-6-methylnonan-3-one is sourced from PubChem (CID 123192108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).