2-hydroxy-7-methyldecan-3-one

C11H22O2 — CID 91404937

IUPAC2-hydroxy-7-methyldecan-3-one
SMILESCCCC(C)CCCC(=O)C(C)O
InChIInChI=1S/C11H22O2/c1-4-6-9(2)7-5-8-11(13)10(3)12/h9-10,12H,4-8H2,1-3H3
InChIKeyMAOWTYHFDTZYGJ-UHFFFAOYSA-N
MW186.29 g/mol
LogP2.54
Rot. Bonds7

About 2-hydroxy-7-methyldecan-3-one

2-hydroxy-7-methyldecan-3-one (PubChem CID 91404937) has the molecular formula C11H22O2 and a molecular weight of 186.29 g/mol. Its IUPAC name is 2-hydroxy-7-methyldecan-3-one.

Molecular Properties

Compound Name2-hydroxy-7-methyldecan-3-one
PubChem CID91404937
Molecular FormulaC11H22O2
Molecular Weight186.29 g/mol
Exact Mass186.16
IUPAC Name2-hydroxy-7-methyldecan-3-one
SMILESCCCC(C)CCCC(=O)C(C)O
InChIInChI=1S/C11H22O2/c1-4-6-9(2)7-5-8-11(13)10(3)12/h9-10,12H,4-8H2,1-3H3
InChIKeyMAOWTYHFDTZYGJ-UHFFFAOYSA-N
XLogP2.54
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 ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-hydroxy-6-methylnonan-3-one
CID 123192108
2-hydroxy-6-methyldecan-3-one
CID 91029321
(6S)-6,10-dimethyltridecan-2-one
CID 87377837
2-hydroxyicosan-3-one
CID 57023276
4,8-dimethylundecanoic acid
CID 25230729
7-methyldecan-2-one
CID 54155197
sodium;hydride;2-hydroxytetradecan-3-one
CID 173221768
6-methyl-2-methylidenenonanoic acid
CID 54193613
8-methylundecan-2-one
CID 19847213
2-hydroxy-7-methyldecanoic acid
CID 141014301
6-methylnonan-2-ol
CID 19931334
5-methyl-1-pyrrolidin-1-yloctan-1-one
CID 168981968

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-7-methyldecan-3-one?
The IUPAC name of 2-hydroxy-7-methyldecan-3-one (CID 91404937) is 2-hydroxy-7-methyldecan-3-one.
What is the SMILES notation for 2-hydroxy-7-methyldecan-3-one?
The canonical SMILES for 2-hydroxy-7-methyldecan-3-one is CCCC(C)CCCC(=O)C(C)O.
What is the InChIKey of 2-hydroxy-7-methyldecan-3-one?
The InChIKey is MAOWTYHFDTZYGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O2/c1-4-6-9(2)7-5-8-11(13)10(3)12/h9-10,12H,4-8H2,1-3H3.
What are the key properties of 2-hydroxy-7-methyldecan-3-one?
2-hydroxy-7-methyldecan-3-one has a molecular weight of 186.29 g/mol, XLogP of 2.54, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-7-methyldecan-3-one is sourced from PubChem (CID 91404937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).