4-hydroxytricosan-6-one

C23H46O2 — CID 131751829

IUPAC4-hydroxytricosan-6-one
SMILESCCCCCCCCCCCCCCCCCC(=O)CC(O)CCC
InChIInChI=1S/C23H46O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-23(25)21-22(24)19-4-2/h22,24H,3-21H2,1-2H3
InChIKeyBSEXCTWVVZZKPE-UHFFFAOYSA-N
MW354.62 g/mol
LogP7.37
Rot. Bonds20

About 4-hydroxytricosan-6-one

4-hydroxytricosan-6-one (PubChem CID 131751829) has the molecular formula C23H46O2 and a molecular weight of 354.62 g/mol. Its IUPAC name is 4-hydroxytricosan-6-one.

Molecular Properties

Compound Name4-hydroxytricosan-6-one
PubChem CID131751829
Molecular FormulaC23H46O2
Molecular Weight354.62 g/mol
Exact Mass354.35
IUPAC Name4-hydroxytricosan-6-one
SMILESCCCCCCCCCCCCCCCCCC(=O)CC(O)CCC
InChIInChI=1S/C23H46O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-23(25)21-22(24)19-4-2/h22,24H,3-21H2,1-2H3
InChIKeyBSEXCTWVVZZKPE-UHFFFAOYSA-N
XLogP7.37
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds20
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.62
LogP ≤ 57.37
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

11-hydroxynonadecan-9-one
CID 100944351
6,13,24,31-tetrahydroxyhexatriacontane-8,15,22,29-tetrone
CID 163056640
6-hydroxypentacosan-8-one
CID 131751819
4-hydroxyheptadecan-7-one
CID 10934542
6-hydroxynonan-4-one
CID 22287595
1,2-dihydroxyhexacosan-4-one;hydrate
CID 141328016
methyl 10-hydroxy-12-oxooctadecanoate
CID 101174504
4-methyltetradecan-6-one
CID 12635285
(22S)-22-hydroxytetratriacontan-13-one
CID 162898768
2-hydroxyundecan-4-one
CID 57218315
4-aminotridecan-6-one
CID 116607784
25-hydroxyhexatetracontan-21-one
CID 163029416

Frequently Asked Questions

What is the IUPAC name of 4-hydroxytricosan-6-one?
The IUPAC name of 4-hydroxytricosan-6-one (CID 131751829) is 4-hydroxytricosan-6-one.
What is the SMILES notation for 4-hydroxytricosan-6-one?
The canonical SMILES for 4-hydroxytricosan-6-one is CCCCCCCCCCCCCCCCCC(=O)CC(O)CCC.
What is the InChIKey of 4-hydroxytricosan-6-one?
The InChIKey is BSEXCTWVVZZKPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H46O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-23(25)21-22(24)19-4-2/h22,24H,3-21H2,1-2H3.
What are the key properties of 4-hydroxytricosan-6-one?
4-hydroxytricosan-6-one has a molecular weight of 354.62 g/mol, XLogP of 7.37, 20 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxytricosan-6-one is sourced from PubChem (CID 131751829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).