(5R)-5-hydroxytriacontan-9-one

C30H60O2 — CID 162957115

IUPAC(5R)-5-hydroxytriacontan-9-one
SMILESCCCCCCCCCCCCCCCCCCCCCC(=O)CCC[C@H](O)CCCC
InChIInChI=1S/C30H60O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-26-30(32)28-24-27-29(31)25-6-4-2/h29,31H,3-28H2,1-2H3/t29-/m1/s1
InChIKeyDGSKHQZKWNRYHW-GDLZYMKVSA-N
MW452.81 g/mol
LogP10.10
Rot. Bonds27

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

(5R)-5-hydroxytriacontan-9-one (PubChem CID 162957115) has the molecular formula C30H60O2 and a molecular weight of 452.81 g/mol. Its IUPAC name is (5R)-5-hydroxytriacontan-9-one.

Molecular Properties

Compound Name(5R)-5-hydroxytriacontan-9-one
PubChem CID162957115
Molecular FormulaC30H60O2
Molecular Weight452.81 g/mol
Exact Mass452.46
IUPAC Name(5R)-5-hydroxytriacontan-9-one
SMILESCCCCCCCCCCCCCCCCCCCCCC(=O)CCC[C@H](O)CCCC
InChIInChI=1S/C30H60O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-26-30(32)28-24-27-29(31)25-6-4-2/h29,31H,3-28H2,1-2H3/t29-/m1/s1
InChIKeyDGSKHQZKWNRYHW-GDLZYMKVSA-N
XLogP10.10
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds27
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.81
LogP ≤ 510.10
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-hydroxytriacontan-9-one?
The IUPAC name of (5R)-5-hydroxytriacontan-9-one (CID 162957115) is (5R)-5-hydroxytriacontan-9-one.
What is the SMILES notation for (5R)-5-hydroxytriacontan-9-one?
The canonical SMILES for (5R)-5-hydroxytriacontan-9-one is CCCCCCCCCCCCCCCCCCCCCC(=O)CCC[C@H](O)CCCC.
What is the InChIKey of (5R)-5-hydroxytriacontan-9-one?
The InChIKey is DGSKHQZKWNRYHW-GDLZYMKVSA-N. The full InChI is InChI=1S/C30H60O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-26-30(32)28-24-27-29(31)25-6-4-2/h29,31H,3-28H2,1-2H3/t29-/m1/s1.
What are the key properties of (5R)-5-hydroxytriacontan-9-one?
(5R)-5-hydroxytriacontan-9-one has a molecular weight of 452.81 g/mol, XLogP of 10.10, 27 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-hydroxytriacontan-9-one is sourced from PubChem (CID 162957115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).