1-hydroxydecan-5-one

C10H20O2 — CID 11658362

IUPAC1-hydroxydecan-5-one
SMILESCCCCCC(=O)CCCCO
InChIInChI=1S/C10H20O2/c1-2-3-4-7-10(12)8-5-6-9-11/h11H,2-9H2,1H3
InChIKeyGJCUAWMSAUGCSQ-UHFFFAOYSA-N
MW172.27 g/mol
LogP2.30
Rot. Bonds8

About 1-hydroxydecan-5-one

1-hydroxydecan-5-one (PubChem CID 11658362) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is 1-hydroxydecan-5-one.

Molecular Properties

Compound Name1-hydroxydecan-5-one
PubChem CID11658362
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name1-hydroxydecan-5-one
SMILESCCCCCC(=O)CCCCO
InChIInChI=1S/C10H20O2/c1-2-3-4-7-10(12)8-5-6-9-11/h11H,2-9H2,1H3
InChIKeyGJCUAWMSAUGCSQ-UHFFFAOYSA-N
XLogP2.30
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
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

1-hydroxytridecan-7-one
CID 87401341
28-hydroxyoctacosan-7-one
CID 15088059
1-hydroxydotriacontan-15-one
CID 71420958
1-hydroxynonadecan-4-one
CID 91351841
pentacosan-7-one
CID 54551687
pentacosane-7,19-dione
CID 139254510
nonadecan-7-one
CID 12913434
nonatriacontane-8,29-dione
CID 150237018
pentadecan-8-one
CID 13162
tricosan-12-one
CID 10888
octacosan-8-one
CID 86052342
1-hydroxyheptadecane-2,9-dione
CID 153452315

Frequently Asked Questions

What is the IUPAC name of 1-hydroxydecan-5-one?
The IUPAC name of 1-hydroxydecan-5-one (CID 11658362) is 1-hydroxydecan-5-one.
What is the SMILES notation for 1-hydroxydecan-5-one?
The canonical SMILES for 1-hydroxydecan-5-one is CCCCCC(=O)CCCCO.
What is the InChIKey of 1-hydroxydecan-5-one?
The InChIKey is GJCUAWMSAUGCSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-2-3-4-7-10(12)8-5-6-9-11/h11H,2-9H2,1H3.
What are the key properties of 1-hydroxydecan-5-one?
1-hydroxydecan-5-one has a molecular weight of 172.27 g/mol, XLogP of 2.30, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxydecan-5-one is sourced from PubChem (CID 11658362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).