3-hydroxy-7-methylnonan-2-one

C10H20O2 — CID 87291437

IUPAC3-hydroxy-7-methylnonan-2-one
SMILESCCC(C)CCCC(O)C(C)=O
InChIInChI=1S/C10H20O2/c1-4-8(2)6-5-7-10(12)9(3)11/h8,10,12H,4-7H2,1-3H3
InChIKeyWUHQMQHEPFJTQX-UHFFFAOYSA-N
MW172.27 g/mol
LogP2.15
Rot. Bonds6

About 3-hydroxy-7-methylnonan-2-one

3-hydroxy-7-methylnonan-2-one (PubChem CID 87291437) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is 3-hydroxy-7-methylnonan-2-one.

Molecular Properties

Compound Name3-hydroxy-7-methylnonan-2-one
PubChem CID87291437
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name3-hydroxy-7-methylnonan-2-one
SMILESCCC(C)CCCC(O)C(C)=O
InChIInChI=1S/C10H20O2/c1-4-8(2)6-5-7-10(12)9(3)11/h8,10,12H,4-7H2,1-3H3
InChIKeyWUHQMQHEPFJTQX-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

3-hydroxy-6-methyloctan-2-one
CID 87292065
(3R,7R)-3,7-dimethylnonane
CID 42626759
6,10-dimethyldodecan-2-one
CID 14707953
3-hydroxydecan-2-one
CID 12524096
7-methylnonan-3-ol
CID 64515833
(2R,6R)-2,6-dimethyloctanoic acid
CID 100977919
3-hydroxyhexan-2-one
CID 15525237
acetic acid;2,6-dimethyloctane;hexane;2-methylheptane
CID 173300311
acetic acid;9-methylundecan-1-ol
CID 71407241
3-hydroxypentan-2-one;zinc
CID 174642767
(4R,8S)-4,8-dimethyldecan-1-ol
CID 121007505
2-amino-8-methyldecanoic acid
CID 167110003

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-7-methylnonan-2-one?
The IUPAC name of 3-hydroxy-7-methylnonan-2-one (CID 87291437) is 3-hydroxy-7-methylnonan-2-one.
What is the SMILES notation for 3-hydroxy-7-methylnonan-2-one?
The canonical SMILES for 3-hydroxy-7-methylnonan-2-one is CCC(C)CCCC(O)C(C)=O.
What is the InChIKey of 3-hydroxy-7-methylnonan-2-one?
The InChIKey is WUHQMQHEPFJTQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-4-8(2)6-5-7-10(12)9(3)11/h8,10,12H,4-7H2,1-3H3.
What are the key properties of 3-hydroxy-7-methylnonan-2-one?
3-hydroxy-7-methylnonan-2-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 3-hydroxy-7-methylnonan-2-one is sourced from PubChem (CID 87291437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).