(3R)-3-hydroxytriacontan-11-one

C30H60O2 — CID 163074404

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

About (3R)-3-hydroxytriacontan-11-one

(3R)-3-hydroxytriacontan-11-one (PubChem CID 163074404) has the molecular formula C30H60O2 and a molecular weight of 452.81 g/mol. Its IUPAC name is (3R)-3-hydroxytriacontan-11-one.

Molecular Properties

Compound Name(3R)-3-hydroxytriacontan-11-one
PubChem CID163074404
Molecular FormulaC30H60O2
Molecular Weight452.81 g/mol
Exact Mass452.46
IUPAC Name(3R)-3-hydroxytriacontan-11-one
SMILESCCCCCCCCCCCCCCCCCCCC(=O)CCCCCCC[C@H](O)CC
InChIInChI=1S/C30H60O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-24-27-30(32)28-25-22-19-21-23-26-29(31)4-2/h29,31H,3-28H2,1-2H3/t29-/m1/s1
InChIKeyOWBDRLRSHHFOCE-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

3-hydroxyhenicosan-6-one
CID 161363871
(22S)-22-hydroxytetratriacontan-13-one
CID 162898768
25-hydroxyhexatetracontan-21-one
CID 163029416
(10S)-10-hydroxyhentriacontan-4-one
CID 162996297
CID 159048061
CID 159048061
25-hydroxy-33-methylpentatriacontan-6-one
CID 14825159
icosan-3-ol
CID 14940768
6,13,24,31-tetrahydroxyhexatriacontane-8,15,22,29-tetrone
CID 163056640
11-hydroxynonadecan-9-one
CID 100944351
36,47-dihydroxyhenpentacontan-4-one
CID 15693545
6-hydroxypentacosan-8-one
CID 131751819
icosane-3,10-diol
CID 141217833

Frequently Asked Questions

What is the IUPAC name of (3R)-3-hydroxytriacontan-11-one?
The IUPAC name of (3R)-3-hydroxytriacontan-11-one (CID 163074404) is (3R)-3-hydroxytriacontan-11-one.
What is the SMILES notation for (3R)-3-hydroxytriacontan-11-one?
The canonical SMILES for (3R)-3-hydroxytriacontan-11-one is CCCCCCCCCCCCCCCCCCCC(=O)CCCCCCC[C@H](O)CC.
What is the InChIKey of (3R)-3-hydroxytriacontan-11-one?
The InChIKey is OWBDRLRSHHFOCE-GDLZYMKVSA-N. The full InChI is InChI=1S/C30H60O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-24-27-30(32)28-25-22-19-21-23-26-29(31)4-2/h29,31H,3-28H2,1-2H3/t29-/m1/s1.
What are the key properties of (3R)-3-hydroxytriacontan-11-one?
(3R)-3-hydroxytriacontan-11-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 (3R)-3-hydroxytriacontan-11-one is sourced from PubChem (CID 163074404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).