1,11-dihydroxyundecan-6-one

C11H22O3 — CID 14015246

IUPAC1,11-dihydroxyundecan-6-one
SMILESO=C(CCCCCO)CCCCCO
InChIInChI=1S/C11H22O3/c12-9-5-1-3-7-11(14)8-4-2-6-10-13/h12-13H,1-10H2
InChIKeyLMBNKQFQRRNLLI-UHFFFAOYSA-N
MW202.29 g/mol
LogP1.66
Rot. Bonds10

About 1,11-dihydroxyundecan-6-one

1,11-dihydroxyundecan-6-one (PubChem CID 14015246) has the molecular formula C11H22O3 and a molecular weight of 202.29 g/mol. Its IUPAC name is 1,11-dihydroxyundecan-6-one.

Molecular Properties

Compound Name1,11-dihydroxyundecan-6-one
PubChem CID14015246
Molecular FormulaC11H22O3
Molecular Weight202.29 g/mol
Exact Mass202.16
IUPAC Name1,11-dihydroxyundecan-6-one
SMILESO=C(CCCCCO)CCCCCO
InChIInChI=1S/C11H22O3/c12-9-5-1-3-7-11(14)8-4-2-6-10-13/h12-13H,1-10H2
InChIKeyLMBNKQFQRRNLLI-UHFFFAOYSA-N
XLogP1.66
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.29
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

15-hydroxy-6-oxopentadecanoic acid
CID 154126593
1-hydroxytridecan-7-one
CID 87401341
9-hydroxy-4-oxononanoic acid
CID 159708655
28-hydroxyoctacosan-7-one
CID 15088059
1-hydroxydotriacontan-15-one
CID 71420958
1-hydroxydecan-5-one
CID 11658362
1-hydroxynonadecan-4-one
CID 91351841
10-hydroxydecanoic acid
CID 138734563
38-hydroxyoctatriacontanoic acid
CID 18981443
31-hydroxyhentriacontanoic acid
CID 71339995
butane-1,4-diol;hexanedioic acid;bis(hexane-1,6-diol)
CID 161164712
18-hydroxyoctadecanamide
CID 54261687

Frequently Asked Questions

What is the IUPAC name of 1,11-dihydroxyundecan-6-one?
The IUPAC name of 1,11-dihydroxyundecan-6-one (CID 14015246) is 1,11-dihydroxyundecan-6-one.
What is the SMILES notation for 1,11-dihydroxyundecan-6-one?
The canonical SMILES for 1,11-dihydroxyundecan-6-one is O=C(CCCCCO)CCCCCO.
What is the InChIKey of 1,11-dihydroxyundecan-6-one?
The InChIKey is LMBNKQFQRRNLLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O3/c12-9-5-1-3-7-11(14)8-4-2-6-10-13/h12-13H,1-10H2.
What are the key properties of 1,11-dihydroxyundecan-6-one?
1,11-dihydroxyundecan-6-one has a molecular weight of 202.29 g/mol, XLogP of 1.66, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,11-dihydroxyundecan-6-one is sourced from PubChem (CID 14015246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).