1-hydroxynonadecan-4-one

C19H38O2 — CID 91351841

IUPAC1-hydroxynonadecan-4-one
SMILESCCCCCCCCCCCCCCCC(=O)CCCO
InChIInChI=1S/C19H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19(21)17-15-18-20/h20H,2-18H2,1H3
InChIKeyHKBCGIPNSADQDS-UHFFFAOYSA-N
MW298.51 g/mol
LogP5.81
Rot. Bonds17

About 1-hydroxynonadecan-4-one

1-hydroxynonadecan-4-one (PubChem CID 91351841) has the molecular formula C19H38O2 and a molecular weight of 298.51 g/mol. Its IUPAC name is 1-hydroxynonadecan-4-one.

Molecular Properties

Compound Name1-hydroxynonadecan-4-one
PubChem CID91351841
Molecular FormulaC19H38O2
Molecular Weight298.51 g/mol
Exact Mass298.29
IUPAC Name1-hydroxynonadecan-4-one
SMILESCCCCCCCCCCCCCCCC(=O)CCCO
InChIInChI=1S/C19H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19(21)17-15-18-20/h20H,2-18H2,1H3
InChIKeyHKBCGIPNSADQDS-UHFFFAOYSA-N
XLogP5.81
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.51
LogP ≤ 55.81
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

1-hydroxytridecan-7-one
CID 87401341
28-hydroxyoctacosan-7-one
CID 15088059
1-hydroxydotriacontan-15-one
CID 71420958
1-hydroxydecan-5-one
CID 11658362
pentacosan-7-one
CID 54551687
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
1-hydroxyheptadecane-2,9-dione
CID 153452315

Frequently Asked Questions

What is the IUPAC name of 1-hydroxynonadecan-4-one?
The IUPAC name of 1-hydroxynonadecan-4-one (CID 91351841) is 1-hydroxynonadecan-4-one.
What is the SMILES notation for 1-hydroxynonadecan-4-one?
The canonical SMILES for 1-hydroxynonadecan-4-one is CCCCCCCCCCCCCCCC(=O)CCCO.
What is the InChIKey of 1-hydroxynonadecan-4-one?
The InChIKey is HKBCGIPNSADQDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19(21)17-15-18-20/h20H,2-18H2,1H3.
What are the key properties of 1-hydroxynonadecan-4-one?
1-hydroxynonadecan-4-one has a molecular weight of 298.51 g/mol, XLogP of 5.81, 17 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxynonadecan-4-one is sourced from PubChem (CID 91351841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).