(5R)-5-hydroxyhexacosan-9-one

C26H52O2 — CID 162918059

IUPAC(5R)-5-hydroxyhexacosan-9-one
SMILESCCCCCCCCCCCCCCCCCC(=O)CCC[C@H](O)CCCC
InChIInChI=1S/C26H52O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-22-26(28)24-20-23-25(27)21-6-4-2/h25,27H,3-24H2,1-2H3/t25-/m1/s1
InChIKeyMOBQTXQMADMNHL-RUZDIDTESA-N
MW396.70 g/mol
LogP8.54
Rot. Bonds23

About (5R)-5-hydroxyhexacosan-9-one

(5R)-5-hydroxyhexacosan-9-one (PubChem CID 162918059) has the molecular formula C26H52O2 and a molecular weight of 396.70 g/mol. Its IUPAC name is (5R)-5-hydroxyhexacosan-9-one.

Molecular Properties

Compound Name(5R)-5-hydroxyhexacosan-9-one
PubChem CID162918059
Molecular FormulaC26H52O2
Molecular Weight396.70 g/mol
Exact Mass396.40
IUPAC Name(5R)-5-hydroxyhexacosan-9-one
SMILESCCCCCCCCCCCCCCCCCC(=O)CCC[C@H](O)CCCC
InChIInChI=1S/C26H52O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-22-26(28)24-20-23-25(27)21-6-4-2/h25,27H,3-24H2,1-2H3/t25-/m1/s1
InChIKeyMOBQTXQMADMNHL-RUZDIDTESA-N
XLogP8.54
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds23
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.70
LogP ≤ 58.54
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

12-Hydroxystearic acid
CID 7789
10-Hydroxystearic Acid
CID 9561835
Methyl 12-hydroxystearate
CID 8840
Lithium hydroxystearate
CID 23668746
(S)-3-hydroxytridecan-4-one
CID 24892809
Potassium Hydroxystearate
CID 23666670
Sodium Hydroxystearate
CID 23686579
2-Hydroxyhexadecanal
CID 18987871
9-Hydroxyoctadecanoic Acid
CID 9570127
Octadecanoic acid, 9-hydroxy-, (S)-
CID 9601093
3-Hydroxytridecan-4-one
CID 53262910
10-Hydroxystearic acid, (10R)-
CID 12520

Frequently Asked Questions

What is the IUPAC name of (5R)-5-hydroxyhexacosan-9-one?
The IUPAC name of (5R)-5-hydroxyhexacosan-9-one (CID 162918059) is (5R)-5-hydroxyhexacosan-9-one.
What is the SMILES notation for (5R)-5-hydroxyhexacosan-9-one?
The canonical SMILES for (5R)-5-hydroxyhexacosan-9-one is CCCCCCCCCCCCCCCCCC(=O)CCC[C@H](O)CCCC.
What is the InChIKey of (5R)-5-hydroxyhexacosan-9-one?
The InChIKey is MOBQTXQMADMNHL-RUZDIDTESA-N. The full InChI is InChI=1S/C26H52O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-22-26(28)24-20-23-25(27)21-6-4-2/h25,27H,3-24H2,1-2H3/t25-/m1/s1.
What are the key properties of (5R)-5-hydroxyhexacosan-9-one?
(5R)-5-hydroxyhexacosan-9-one has a molecular weight of 396.70 g/mol, XLogP of 8.54, 23 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-hydroxyhexacosan-9-one is sourced from PubChem (CID 162918059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).