1-hydroxyoctan-2-one

C8H16O2 — CID 10855595

IUPAC1-hydroxyoctan-2-one
SMILESCCCCCCC(=O)CO
InChIInChI=1S/C8H16O2/c1-2-3-4-5-6-8(10)7-9/h9H,2-7H2,1H3
InChIKeyOGCKUGCNRAHIPG-UHFFFAOYSA-N
MW144.21 g/mol
LogP1.52
Rot. Bonds6

About 1-hydroxyoctan-2-one

1-hydroxyoctan-2-one (PubChem CID 10855595) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is 1-hydroxyoctan-2-one.

Molecular Properties

Compound Name1-hydroxyoctan-2-one
PubChem CID10855595
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Name1-hydroxyoctan-2-one
SMILESCCCCCCC(=O)CO
InChIInChI=1S/C8H16O2/c1-2-3-4-5-6-8(10)7-9/h9H,2-7H2,1H3
InChIKeyOGCKUGCNRAHIPG-UHFFFAOYSA-N
XLogP1.52
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.21
LogP ≤ 51.52
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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Frequently Asked Questions

What is the IUPAC name of 1-hydroxyoctan-2-one?
The IUPAC name of 1-hydroxyoctan-2-one (CID 10855595) is 1-hydroxyoctan-2-one.
What is the SMILES notation for 1-hydroxyoctan-2-one?
The canonical SMILES for 1-hydroxyoctan-2-one is CCCCCCC(=O)CO.
What is the InChIKey of 1-hydroxyoctan-2-one?
The InChIKey is OGCKUGCNRAHIPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2/c1-2-3-4-5-6-8(10)7-9/h9H,2-7H2,1H3.
What are the key properties of 1-hydroxyoctan-2-one?
1-hydroxyoctan-2-one has a molecular weight of 144.21 g/mol, XLogP of 1.52, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxyoctan-2-one is sourced from PubChem (CID 10855595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).