15-hydroxyoctacosan-14-one

C28H56O2 — CID 11270216

IUPAC15-hydroxyoctacosan-14-one
SMILESCCCCCCCCCCCCCC(=O)C(O)CCCCCCCCCCCCC
InChIInChI=1S/C28H56O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27(29)28(30)26-24-22-20-18-16-14-12-10-8-6-4-2/h27,29H,3-26H2,1-2H3
InChIKeyRHVGNQXINHBOCQ-UHFFFAOYSA-N
MW424.75 g/mol
LogP9.32
Rot. Bonds25

About 15-hydroxyoctacosan-14-one

15-hydroxyoctacosan-14-one (PubChem CID 11270216) has the molecular formula C28H56O2 and a molecular weight of 424.75 g/mol. Its IUPAC name is 15-hydroxyoctacosan-14-one.

Molecular Properties

Compound Name15-hydroxyoctacosan-14-one
PubChem CID11270216
Molecular FormulaC28H56O2
Molecular Weight424.75 g/mol
Exact Mass424.43
IUPAC Name15-hydroxyoctacosan-14-one
SMILESCCCCCCCCCCCCCC(=O)C(O)CCCCCCCCCCCCC
InChIInChI=1S/C28H56O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27(29)28(30)26-24-22-20-18-16-14-12-10-8-6-4-2/h27,29H,3-26H2,1-2H3
InChIKeyRHVGNQXINHBOCQ-UHFFFAOYSA-N
XLogP9.32
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds25
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.75
LogP ≤ 59.32
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

(9S)-9-hydroxyhexadecan-8-one
CID 97045447
(9R)-9-hydroxyhexadecan-8-one
CID 97045448
(11S)-11-hydroxyicosan-10-one
CID 98053519
1,5-dihydroxyhexacosan-4-one
CID 141328006
21-hydroxytetraconta-6,9,31,34-tetraen-20-one
CID 123515424
2-fluoro-5-hydroxyundecan-6-one
CID 121216637
(3R)-1,3-dihydroxyoctan-2-one
CID 46187641
13-pentadecylheptacosane-12,14-dione
CID 141100144
6-hydroxypentadecane-7,8-dione
CID 57116193
10,13-dihydroxy-12-oxooctadecanoic acid
CID 91031479
2-hydroxyoctadecanoic acid;octadecanoic acid
CID 87989363
3-hydroxydecan-2-one
CID 12524096

Frequently Asked Questions

What is the IUPAC name of 15-hydroxyoctacosan-14-one?
The IUPAC name of 15-hydroxyoctacosan-14-one (CID 11270216) is 15-hydroxyoctacosan-14-one.
What is the SMILES notation for 15-hydroxyoctacosan-14-one?
The canonical SMILES for 15-hydroxyoctacosan-14-one is CCCCCCCCCCCCCC(=O)C(O)CCCCCCCCCCCCC.
What is the InChIKey of 15-hydroxyoctacosan-14-one?
The InChIKey is RHVGNQXINHBOCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H56O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27(29)28(30)26-24-22-20-18-16-14-12-10-8-6-4-2/h27,29H,3-26H2,1-2H3.
What are the key properties of 15-hydroxyoctacosan-14-one?
15-hydroxyoctacosan-14-one has a molecular weight of 424.75 g/mol, XLogP of 9.32, 25 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 15-hydroxyoctacosan-14-one is sourced from PubChem (CID 11270216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).