2-hydroxy-6-methyldecan-3-one

C11H22O2 — CID 91029321

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

About 2-hydroxy-6-methyldecan-3-one

2-hydroxy-6-methyldecan-3-one (PubChem CID 91029321) has the molecular formula C11H22O2 and a molecular weight of 186.29 g/mol. Its IUPAC name is 2-hydroxy-6-methyldecan-3-one.

Molecular Properties

Compound Name2-hydroxy-6-methyldecan-3-one
PubChem CID91029321
Molecular FormulaC11H22O2
Molecular Weight186.29 g/mol
Exact Mass186.16
IUPAC Name2-hydroxy-6-methyldecan-3-one
SMILESCCCCC(C)CCC(=O)C(C)O
InChIInChI=1S/C11H22O2/c1-4-5-6-9(2)7-8-11(13)10(3)12/h9-10,12H,4-8H2,1-3H3
InChIKeyAWVGHRRLERNAES-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
(6S)-2,6-dimethyldecan-3-one
CID 71584493
2-hydroxy-7-methyldecan-3-one
CID 91404937
4,8-dimethyldodecanoic acid
CID 5282617
ethane;4-methyloctanoic acid
CID 171811977
2-hydroxyicosan-3-one
CID 57023276
deuterio 4-methyloctanoate
CID 175688487
sodium;hydride;2-hydroxytetradecan-3-one
CID 173221768
4-methyloctanoic acid;nonanoic acid
CID 161166549
4-methyltetradecanoic acid
CID 23454322
ethyl (4S)-4-methylnonanoate
CID 92950939
4-methyloctanoyl nonanoate
CID 56983372

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-6-methyldecan-3-one?
The IUPAC name of 2-hydroxy-6-methyldecan-3-one (CID 91029321) is 2-hydroxy-6-methyldecan-3-one.
What is the SMILES notation for 2-hydroxy-6-methyldecan-3-one?
The canonical SMILES for 2-hydroxy-6-methyldecan-3-one is CCCCC(C)CCC(=O)C(C)O.
What is the InChIKey of 2-hydroxy-6-methyldecan-3-one?
The InChIKey is AWVGHRRLERNAES-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O2/c1-4-5-6-9(2)7-8-11(13)10(3)12/h9-10,12H,4-8H2,1-3H3.
What are the key properties of 2-hydroxy-6-methyldecan-3-one?
2-hydroxy-6-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-6-methyldecan-3-one is sourced from PubChem (CID 91029321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).