1,2-dihydroxytetracos-12-en-3-one

C24H46O3 — CID 172996301

IUPAC1,2-dihydroxytetracos-12-en-3-one
SMILESCCCCCCCCCCCC=CCCCCCCCCC(=O)C(O)CO
InChIInChI=1S/C24H46O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23(26)24(27)22-25/h12-13,24-25,27H,2-11,14-22H2,1H3
InChIKeyDAOVEIGDOGMNNU-UHFFFAOYSA-N
MW382.63 g/mol
LogP6.51
Rot. Bonds21

About 1,2-dihydroxytetracos-12-en-3-one

1,2-dihydroxytetracos-12-en-3-one (PubChem CID 172996301) has the molecular formula C24H46O3 and a molecular weight of 382.63 g/mol. Its IUPAC name is 1,2-dihydroxytetracos-12-en-3-one.

Molecular Properties

Compound Name1,2-dihydroxytetracos-12-en-3-one
PubChem CID172996301
Molecular FormulaC24H46O3
Molecular Weight382.63 g/mol
Exact Mass382.34
IUPAC Name1,2-dihydroxytetracos-12-en-3-one
SMILESCCCCCCCCCCCC=CCCCCCCCCC(=O)C(O)CO
InChIInChI=1S/C24H46O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23(26)24(27)22-25/h12-13,24-25,27H,2-11,14-22H2,1H3
InChIKeyDAOVEIGDOGMNNU-UHFFFAOYSA-N
XLogP6.51
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds21
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.63
LogP ≤ 56.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Idroxioleic Acid
CID 9796304
(2R,12Z,15Z)-1-(Acetyloxy)-2-hydroxy-12,15-heneicosadien-4-one
CID 6443027
Ibrilatazar
CID 21158511
(9R,10S,12Z)-9,10-Dihydroxy-8-oxo-12-octadecenoic acid
CID 131752865
9-Octadecenoic acid (9Z)-, epoxidized, ester with propylene glycol
CID 6441020
Isopersin
CID 44584048
1-Acetyloxy-2-hydroxy-12,15-heneicosadien-4-one
CID 5283266
(E,2S)-1,2-dihydroxydocos-8-en-10-one
CID 56945328
(Z)-1-hydroxyhexadec-10-en-7-one
CID 13964640
2-HoTrE
CID 5312775
9,10-Dihydroxy-8-oxooctadec-12-enoic acid
CID 71342303
[(2S,12Z,15Z)-2-hydroxy-4-oxohenicosa-12,15-dienyl] acetate
CID 9800039

Frequently Asked Questions

What is the IUPAC name of 1,2-dihydroxytetracos-12-en-3-one?
The IUPAC name of 1,2-dihydroxytetracos-12-en-3-one (CID 172996301) is 1,2-dihydroxytetracos-12-en-3-one.
What is the SMILES notation for 1,2-dihydroxytetracos-12-en-3-one?
The canonical SMILES for 1,2-dihydroxytetracos-12-en-3-one is CCCCCCCCCCCC=CCCCCCCCCC(=O)C(O)CO.
What is the InChIKey of 1,2-dihydroxytetracos-12-en-3-one?
The InChIKey is DAOVEIGDOGMNNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H46O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23(26)24(27)22-25/h12-13,24-25,27H,2-11,14-22H2,1H3.
What are the key properties of 1,2-dihydroxytetracos-12-en-3-one?
1,2-dihydroxytetracos-12-en-3-one has a molecular weight of 382.63 g/mol, XLogP of 6.51, 21 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dihydroxytetracos-12-en-3-one is sourced from PubChem (CID 172996301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).