(2S,3R,4S,5S)-5-[(1R)-1-hydroxy-3-methylbutyl]-2,4-dimethyloxolan-3-ol

C11H22O3 — CID 145143924

IUPAC(2S,3R,4S,5S)-5-[(1R)-1-hydroxy-3-methylbutyl]-2,4-dimethyloxolan-3-ol
SMILESCC(C)C[C@@H](O)[C@H]1O[C@@H](C)[C@H](O)[C@@H]1C
InChIInChI=1S/C11H22O3/c1-6(2)5-9(12)11-7(3)10(13)8(4)14-11/h6-13H,5H2,1-4H3/t7-,8-,9+,10+,11-/m0/s1
InChIKeyPZEYHIZSLDMNGF-DAWVFNFOSA-N
MW202.29 g/mol
LogP1.18
Rot. Bonds3

About (2S,3R,4S,5S)-5-[(1R)-1-hydroxy-3-methylbutyl]-2,4-dimethyloxolan-3-ol

(2S,3R,4S,5S)-5-[(1R)-1-hydroxy-3-methylbutyl]-2,4-dimethyloxolan-3-ol (PubChem CID 145143924) has the molecular formula C11H22O3 and a molecular weight of 202.29 g/mol. Its IUPAC name is (2S,3R,4S,5S)-5-[(1R)-1-hydroxy-3-methylbutyl]-2,4-dimethyloxolan-3-ol.

Molecular Properties

Compound Name(2S,3R,4S,5S)-5-[(1R)-1-hydroxy-3-methylbutyl]-2,4-dimethyloxolan-3-ol
PubChem CID145143924
Molecular FormulaC11H22O3
Molecular Weight202.29 g/mol
Exact Mass202.16
IUPAC Name(2S,3R,4S,5S)-5-[(1R)-1-hydroxy-3-methylbutyl]-2,4-dimethyloxolan-3-ol
SMILESCC(C)C[C@@H](O)[C@H]1O[C@@H](C)[C@H](O)[C@@H]1C
InChIInChI=1S/C11H22O3/c1-6(2)5-9(12)11-7(3)10(13)8(4)14-11/h6-13H,5H2,1-4H3/t7-,8-,9+,10+,11-/m0/s1
InChIKeyPZEYHIZSLDMNGF-DAWVFNFOSA-N
XLogP1.18
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.29
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S,3R,4S,5S)-5-[(1R)-1-hydroxy-3-methylbutyl]-2,4-dimethyloxolan-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 (2S,3R,4S,5S)-5-[(1R)-1-hydroxy-3-methylbutyl]-2,4-dimethyloxolan-3-ol?
The IUPAC name of (2S,3R,4S,5S)-5-[(1R)-1-hydroxy-3-methylbutyl]-2,4-dimethyloxolan-3-ol (CID 145143924) is (2S,3R,4S,5S)-5-[(1R)-1-hydroxy-3-methylbutyl]-2,4-dimethyloxolan-3-ol.
What is the SMILES notation for (2S,3R,4S,5S)-5-[(1R)-1-hydroxy-3-methylbutyl]-2,4-dimethyloxolan-3-ol?
The canonical SMILES for (2S,3R,4S,5S)-5-[(1R)-1-hydroxy-3-methylbutyl]-2,4-dimethyloxolan-3-ol is CC(C)C[C@@H](O)[C@H]1O[C@@H](C)[C@H](O)[C@@H]1C.
What is the InChIKey of (2S,3R,4S,5S)-5-[(1R)-1-hydroxy-3-methylbutyl]-2,4-dimethyloxolan-3-ol?
The InChIKey is PZEYHIZSLDMNGF-DAWVFNFOSA-N. The full InChI is InChI=1S/C11H22O3/c1-6(2)5-9(12)11-7(3)10(13)8(4)14-11/h6-13H,5H2,1-4H3/t7-,8-,9+,10+,11-/m0/s1.
What are the key properties of (2S,3R,4S,5S)-5-[(1R)-1-hydroxy-3-methylbutyl]-2,4-dimethyloxolan-3-ol?
(2S,3R,4S,5S)-5-[(1R)-1-hydroxy-3-methylbutyl]-2,4-dimethyloxolan-3-ol has a molecular weight of 202.29 g/mol, XLogP of 1.18, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4S,5S)-5-[(1R)-1-hydroxy-3-methylbutyl]-2,4-dimethyloxolan-3-ol is sourced from PubChem (CID 145143924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).