(4R,6R)-4,6-dihydroxyoctan-2-one

C8H16O3 — CID 58846635

IUPAC(4R,6R)-4,6-dihydroxyoctan-2-one
SMILESCC[C@@H](O)C[C@@H](O)CC(C)=O
InChIInChI=1S/C8H16O3/c1-3-7(10)5-8(11)4-6(2)9/h7-8,10-11H,3-5H2,1-2H3/t7-,8+/m1/s1
InChIKeyAIUFQJWTKTWLQS-SFYZADRCSA-N
MW160.21 g/mol
LogP0.49
Rot. Bonds5

About (4R,6R)-4,6-dihydroxyoctan-2-one

(4R,6R)-4,6-dihydroxyoctan-2-one (PubChem CID 58846635) has the molecular formula C8H16O3 and a molecular weight of 160.21 g/mol. Its IUPAC name is (4R,6R)-4,6-dihydroxyoctan-2-one.

Molecular Properties

Compound Name(4R,6R)-4,6-dihydroxyoctan-2-one
PubChem CID58846635
Molecular FormulaC8H16O3
Molecular Weight160.21 g/mol
Exact Mass160.11
IUPAC Name(4R,6R)-4,6-dihydroxyoctan-2-one
SMILESCC[C@@H](O)C[C@@H](O)CC(C)=O
InChIInChI=1S/C8H16O3/c1-3-7(10)5-8(11)4-6(2)9/h7-8,10-11H,3-5H2,1-2H3/t7-,8+/m1/s1
InChIKeyAIUFQJWTKTWLQS-SFYZADRCSA-N
XLogP0.49
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.21
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (4R,6R)-4,6-dihydroxyoctan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4R,6R)-4,6-dihydroxyoctan-2-one?
The IUPAC name of (4R,6R)-4,6-dihydroxyoctan-2-one (CID 58846635) is (4R,6R)-4,6-dihydroxyoctan-2-one.
What is the SMILES notation for (4R,6R)-4,6-dihydroxyoctan-2-one?
The canonical SMILES for (4R,6R)-4,6-dihydroxyoctan-2-one is CC[C@@H](O)C[C@@H](O)CC(C)=O.
What is the InChIKey of (4R,6R)-4,6-dihydroxyoctan-2-one?
The InChIKey is AIUFQJWTKTWLQS-SFYZADRCSA-N. The full InChI is InChI=1S/C8H16O3/c1-3-7(10)5-8(11)4-6(2)9/h7-8,10-11H,3-5H2,1-2H3/t7-,8+/m1/s1.
What are the key properties of (4R,6R)-4,6-dihydroxyoctan-2-one?
(4R,6R)-4,6-dihydroxyoctan-2-one has a molecular weight of 160.21 g/mol, XLogP of 0.49, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,6R)-4,6-dihydroxyoctan-2-one is sourced from PubChem (CID 58846635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).