(5S)-5-hydroxydecan-3-one

C10H20O2 — CID 102362310

IUPAC(5S)-5-hydroxydecan-3-one
SMILESCCCCC[C@H](O)CC(=O)CC
InChIInChI=1S/C10H20O2/c1-3-5-6-7-10(12)8-9(11)4-2/h10,12H,3-8H2,1-2H3/t10-/m0/s1
InChIKeyKYSLDGZPDIKFIH-JTQLQIEISA-N
MW172.27 g/mol
LogP2.30
Rot. Bonds7

About (5S)-5-hydroxydecan-3-one

(5S)-5-hydroxydecan-3-one (PubChem CID 102362310) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is (5S)-5-hydroxydecan-3-one.

Molecular Properties

Compound Name(5S)-5-hydroxydecan-3-one
PubChem CID102362310
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name(5S)-5-hydroxydecan-3-one
SMILESCCCCC[C@H](O)CC(=O)CC
InChIInChI=1S/C10H20O2/c1-3-5-6-7-10(12)8-9(11)4-2/h10,12H,3-8H2,1-2H3/t10-/m0/s1
InChIKeyKYSLDGZPDIKFIH-JTQLQIEISA-N
XLogP2.30
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 52.30
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

11-hydroxynonadecan-9-one
CID 100944351
6,13,24,31-tetrahydroxyhexatriacontane-8,15,22,29-tetrone
CID 163056640
6-hydroxypentacosan-8-one
CID 131751819
3-hydroxyoctanoic acid
CID 159718411
6-hydroxytritriacontan-3-one
CID 163195749
3-hydroxyoctadecanoic acid
CID 158545826
(3S)-3-hydroxyoctanoate
CID 86308677
3-hydroxytetracosanoic acid
CID 5312781
4-hydroxytricosan-6-one
CID 131751829
potassium 3-hydroxydodecanoate
CID 171061524
(5R)-3-methylidenedecan-5-ol
CID 118281319
(22S)-22-hydroxytetratriacontan-13-one
CID 162898768

Frequently Asked Questions

What is the IUPAC name of (5S)-5-hydroxydecan-3-one?
The IUPAC name of (5S)-5-hydroxydecan-3-one (CID 102362310) is (5S)-5-hydroxydecan-3-one.
What is the SMILES notation for (5S)-5-hydroxydecan-3-one?
The canonical SMILES for (5S)-5-hydroxydecan-3-one is CCCCC[C@H](O)CC(=O)CC.
What is the InChIKey of (5S)-5-hydroxydecan-3-one?
The InChIKey is KYSLDGZPDIKFIH-JTQLQIEISA-N. The full InChI is InChI=1S/C10H20O2/c1-3-5-6-7-10(12)8-9(11)4-2/h10,12H,3-8H2,1-2H3/t10-/m0/s1.
What are the key properties of (5S)-5-hydroxydecan-3-one?
(5S)-5-hydroxydecan-3-one has a molecular weight of 172.27 g/mol, XLogP of 2.30, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-hydroxydecan-3-one is sourced from PubChem (CID 102362310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).