(2R,3S)-2-ethyl-5-methyloxolan-3-ol

C7H14O2 — CID 174181244

IUPAC(2R,3S)-2-ethyl-5-methyloxolan-3-ol
SMILESCC[C@H]1OC(C)C[C@@H]1O
InChIInChI=1S/C7H14O2/c1-3-7-6(8)4-5(2)9-7/h5-8H,3-4H2,1-2H3/t5?,6-,7+/m0/s1
InChIKeyXXNRTNDEYCTPTL-BOJSHJERSA-N
MW130.19 g/mol
LogP0.93
Rot. Bonds1

About (2R,3S)-2-ethyl-5-methyloxolan-3-ol

(2R,3S)-2-ethyl-5-methyloxolan-3-ol (PubChem CID 174181244) has the molecular formula C7H14O2 and a molecular weight of 130.19 g/mol. Its IUPAC name is (2R,3S)-2-ethyl-5-methyloxolan-3-ol.

Molecular Properties

Compound Name(2R,3S)-2-ethyl-5-methyloxolan-3-ol
PubChem CID174181244
Molecular FormulaC7H14O2
Molecular Weight130.19 g/mol
Exact Mass130.10
IUPAC Name(2R,3S)-2-ethyl-5-methyloxolan-3-ol
SMILESCC[C@H]1OC(C)C[C@@H]1O
InChIInChI=1S/C7H14O2/c1-3-7-6(8)4-5(2)9-7/h5-8H,3-4H2,1-2H3/t5?,6-,7+/m0/s1
InChIKeyXXNRTNDEYCTPTL-BOJSHJERSA-N
XLogP0.93
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2R,3S)-2-ethyl-5-methyloxolan-3-ol 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 (2R,3S)-2-ethyl-5-methyloxolan-3-ol?
The IUPAC name of (2R,3S)-2-ethyl-5-methyloxolan-3-ol (CID 174181244) is (2R,3S)-2-ethyl-5-methyloxolan-3-ol.
What is the SMILES notation for (2R,3S)-2-ethyl-5-methyloxolan-3-ol?
The canonical SMILES for (2R,3S)-2-ethyl-5-methyloxolan-3-ol is CC[C@H]1OC(C)C[C@@H]1O.
What is the InChIKey of (2R,3S)-2-ethyl-5-methyloxolan-3-ol?
The InChIKey is XXNRTNDEYCTPTL-BOJSHJERSA-N. The full InChI is InChI=1S/C7H14O2/c1-3-7-6(8)4-5(2)9-7/h5-8H,3-4H2,1-2H3/t5?,6-,7+/m0/s1.
What are the key properties of (2R,3S)-2-ethyl-5-methyloxolan-3-ol?
(2R,3S)-2-ethyl-5-methyloxolan-3-ol has a molecular weight of 130.19 g/mol, XLogP of 0.93, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-ethyl-5-methyloxolan-3-ol is sourced from PubChem (CID 174181244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).