(3S)-4,5,5-trideuterio-3-ethyloxolan-2-one

C6H10O2 — CID 58225424

IUPAC(3S)-4,5,5-trideuterio-3-ethyloxolan-2-one
SMILES[2H]C1[C@H](CC)C(=O)OC1([2H])[2H]
InChIInChI=1S/C6H10O2/c1-2-5-3-4-8-6(5)7/h5H,2-4H2,1H3/t5-/m0/s1/i3D,4D2/t3?,5-
InChIKeyDFEMJYIRAXUQQB-SAOHAKIFSA-N
MW117.16 g/mol
LogP0.96
Rot. Bonds1

About (3S)-4,5,5-trideuterio-3-ethyloxolan-2-one

(3S)-4,5,5-trideuterio-3-ethyloxolan-2-one (PubChem CID 58225424) has the molecular formula C6H10O2 and a molecular weight of 117.16 g/mol. Its IUPAC name is (3S)-4,5,5-trideuterio-3-ethyloxolan-2-one.

Molecular Properties

Compound Name(3S)-4,5,5-trideuterio-3-ethyloxolan-2-one
PubChem CID58225424
Molecular FormulaC6H10O2
Molecular Weight117.16 g/mol
Exact Mass117.09
IUPAC Name(3S)-4,5,5-trideuterio-3-ethyloxolan-2-one
SMILES[2H]C1[C@H](CC)C(=O)OC1([2H])[2H]
InChIInChI=1S/C6H10O2/c1-2-5-3-4-8-6(5)7/h5H,2-4H2,1H3/t5-/m0/s1/i3D,4D2/t3?,5-
InChIKeyDFEMJYIRAXUQQB-SAOHAKIFSA-N
XLogP0.96
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.16
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (3S)-4,5,5-trideuterio-3-ethyloxolan-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 (3S)-4,5,5-trideuterio-3-ethyloxolan-2-one?
The IUPAC name of (3S)-4,5,5-trideuterio-3-ethyloxolan-2-one (CID 58225424) is (3S)-4,5,5-trideuterio-3-ethyloxolan-2-one.
What is the SMILES notation for (3S)-4,5,5-trideuterio-3-ethyloxolan-2-one?
The canonical SMILES for (3S)-4,5,5-trideuterio-3-ethyloxolan-2-one is [2H]C1[C@H](CC)C(=O)OC1([2H])[2H].
What is the InChIKey of (3S)-4,5,5-trideuterio-3-ethyloxolan-2-one?
The InChIKey is DFEMJYIRAXUQQB-SAOHAKIFSA-N. The full InChI is InChI=1S/C6H10O2/c1-2-5-3-4-8-6(5)7/h5H,2-4H2,1H3/t5-/m0/s1/i3D,4D2/t3?,5-.
What are the key properties of (3S)-4,5,5-trideuterio-3-ethyloxolan-2-one?
(3S)-4,5,5-trideuterio-3-ethyloxolan-2-one has a molecular weight of 117.16 g/mol, XLogP of 0.96, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4,5,5-trideuterio-3-ethyloxolan-2-one is sourced from PubChem (CID 58225424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).