1-hydroxydotriacontan-15-one

C32H64O2 — CID 71420958

IUPAC1-hydroxydotriacontan-15-one
SMILESCCCCCCCCCCCCCCCCCC(=O)CCCCCCCCCCCCCCO
InChIInChI=1S/C32H64O2/c1-2-3-4-5-6-7-8-9-10-11-14-17-20-23-26-29-32(34)30-27-24-21-18-15-12-13-16-19-22-25-28-31-33/h33H,2-31H2,1H3
InChIKeyFTRLALNEURXXOK-UHFFFAOYSA-N
MW480.86 g/mol
LogP10.88
Rot. Bonds30

About 1-hydroxydotriacontan-15-one

1-hydroxydotriacontan-15-one (PubChem CID 71420958) has the molecular formula C32H64O2 and a molecular weight of 480.86 g/mol. Its IUPAC name is 1-hydroxydotriacontan-15-one.

Molecular Properties

Compound Name1-hydroxydotriacontan-15-one
PubChem CID71420958
Molecular FormulaC32H64O2
Molecular Weight480.86 g/mol
Exact Mass480.49
IUPAC Name1-hydroxydotriacontan-15-one
SMILESCCCCCCCCCCCCCCCCCC(=O)CCCCCCCCCCCCCCO
InChIInChI=1S/C32H64O2/c1-2-3-4-5-6-7-8-9-10-11-14-17-20-23-26-29-32(34)30-27-24-21-18-15-12-13-16-19-22-25-28-31-33/h33H,2-31H2,1H3
InChIKeyFTRLALNEURXXOK-UHFFFAOYSA-N
XLogP10.88
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds30
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.86
LogP ≤ 510.88
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

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CID 87401341
28-hydroxyoctacosan-7-one
CID 15088059
1-hydroxydecan-5-one
CID 11658362
1-hydroxynonadecan-4-one
CID 91351841
pentacosane-7,19-dione
CID 139254510
nonadecan-7-one
CID 12913434
nonatriacontane-8,29-dione
CID 150237018
pentadecan-8-one
CID 13162
tricosan-12-one
CID 10888
octacosan-8-one
CID 86052342
pentacosan-7-one
CID 54551687
1-hydroxyheptadecane-2,9-dione
CID 153452315

Frequently Asked Questions

What is the IUPAC name of 1-hydroxydotriacontan-15-one?
The IUPAC name of 1-hydroxydotriacontan-15-one (CID 71420958) is 1-hydroxydotriacontan-15-one.
What is the SMILES notation for 1-hydroxydotriacontan-15-one?
The canonical SMILES for 1-hydroxydotriacontan-15-one is CCCCCCCCCCCCCCCCCC(=O)CCCCCCCCCCCCCCO.
What is the InChIKey of 1-hydroxydotriacontan-15-one?
The InChIKey is FTRLALNEURXXOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H64O2/c1-2-3-4-5-6-7-8-9-10-11-14-17-20-23-26-29-32(34)30-27-24-21-18-15-12-13-16-19-22-25-28-31-33/h33H,2-31H2,1H3.
What are the key properties of 1-hydroxydotriacontan-15-one?
1-hydroxydotriacontan-15-one has a molecular weight of 480.86 g/mol, XLogP of 10.88, 30 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxydotriacontan-15-one is sourced from PubChem (CID 71420958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).