2-hydroxyundecan-4-one

C11H22O2 — CID 57218315

IUPAC2-hydroxyundecan-4-one
SMILESCCCCCCCC(=O)CC(C)O
InChIInChI=1S/C11H22O2/c1-3-4-5-6-7-8-11(13)9-10(2)12/h10,12H,3-9H2,1-2H3
InChIKeySNVKDBYAZVZBRZ-UHFFFAOYSA-N
MW186.29 g/mol
LogP2.69
Rot. Bonds8

About 2-hydroxyundecan-4-one

2-hydroxyundecan-4-one (PubChem CID 57218315) has the molecular formula C11H22O2 and a molecular weight of 186.29 g/mol. Its IUPAC name is 2-hydroxyundecan-4-one.

Molecular Properties

Compound Name2-hydroxyundecan-4-one
PubChem CID57218315
Molecular FormulaC11H22O2
Molecular Weight186.29 g/mol
Exact Mass186.16
IUPAC Name2-hydroxyundecan-4-one
SMILESCCCCCCCC(=O)CC(C)O
InChIInChI=1S/C11H22O2/c1-3-4-5-6-7-8-11(13)9-10(2)12/h10,12H,3-9H2,1-2H3
InChIKeySNVKDBYAZVZBRZ-UHFFFAOYSA-N
XLogP2.69
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.29
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methylhexadecan-4-one
CID 63411798
2-methylhexadecane-4,7-dione
CID 57053022
4-methyltetradecan-6-one
CID 12635285
11-hydroxynonadecan-9-one
CID 100944351
5-methyltridecan-7-one
CID 71413449
15-methyltriacontane-14,17-dione
CID 57233805
(2S)-2-hydroxy-4-oxodecanoic acid
CID 54543657
6,13,24,31-tetrahydroxyhexatriacontane-8,15,22,29-tetrone
CID 163056640
12-methylhenicosan-10-one
CID 71761778
4-hydroxytricosan-6-one
CID 131751829
(2R)-2-methyl-4-oxopentadecanoic acid
CID 163018210
6-hydroxypentacosan-8-one
CID 131751819

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyundecan-4-one?
The IUPAC name of 2-hydroxyundecan-4-one (CID 57218315) is 2-hydroxyundecan-4-one.
What is the SMILES notation for 2-hydroxyundecan-4-one?
The canonical SMILES for 2-hydroxyundecan-4-one is CCCCCCCC(=O)CC(C)O.
What is the InChIKey of 2-hydroxyundecan-4-one?
The InChIKey is SNVKDBYAZVZBRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O2/c1-3-4-5-6-7-8-11(13)9-10(2)12/h10,12H,3-9H2,1-2H3.
What are the key properties of 2-hydroxyundecan-4-one?
2-hydroxyundecan-4-one has a molecular weight of 186.29 g/mol, XLogP of 2.69, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyundecan-4-one is sourced from PubChem (CID 57218315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).