(2S)-2-methyl-3-(oxan-2-yloxy)propan-1-ol

C9H18O3 — CID 10103649

IUPAC(2S)-2-methyl-3-(oxan-2-yloxy)propan-1-ol
SMILESC[C@@H](CO)COC1CCCCO1
InChIInChI=1S/C9H18O3/c1-8(6-10)7-12-9-4-2-3-5-11-9/h8-10H,2-7H2,1H3/t8-,9?/m0/s1
InChIKeyJXKZGAOHTFCZQL-IENPIDJESA-N
MW174.24 g/mol
LogP1.16
Rot. Bonds4

About (2S)-2-methyl-3-(oxan-2-yloxy)propan-1-ol

(2S)-2-methyl-3-(oxan-2-yloxy)propan-1-ol (PubChem CID 10103649) has the molecular formula C9H18O3 and a molecular weight of 174.24 g/mol. Its IUPAC name is (2S)-2-methyl-3-(oxan-2-yloxy)propan-1-ol.

Molecular Properties

Compound Name(2S)-2-methyl-3-(oxan-2-yloxy)propan-1-ol
PubChem CID10103649
Molecular FormulaC9H18O3
Molecular Weight174.24 g/mol
Exact Mass174.13
IUPAC Name(2S)-2-methyl-3-(oxan-2-yloxy)propan-1-ol
SMILESC[C@@H](CO)COC1CCCCO1
InChIInChI=1S/C9H18O3/c1-8(6-10)7-12-9-4-2-3-5-11-9/h8-10H,2-7H2,1H3/t8-,9?/m0/s1
InChIKeyJXKZGAOHTFCZQL-IENPIDJESA-N
XLogP1.16
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-2-methyl-3-(oxan-2-yloxy)propan-1-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)-2-methyl-3-(oxan-2-yloxy)propan-1-ol?
The IUPAC name of (2S)-2-methyl-3-(oxan-2-yloxy)propan-1-ol (CID 10103649) is (2S)-2-methyl-3-(oxan-2-yloxy)propan-1-ol.
What is the SMILES notation for (2S)-2-methyl-3-(oxan-2-yloxy)propan-1-ol?
The canonical SMILES for (2S)-2-methyl-3-(oxan-2-yloxy)propan-1-ol is C[C@@H](CO)COC1CCCCO1.
What is the InChIKey of (2S)-2-methyl-3-(oxan-2-yloxy)propan-1-ol?
The InChIKey is JXKZGAOHTFCZQL-IENPIDJESA-N. The full InChI is InChI=1S/C9H18O3/c1-8(6-10)7-12-9-4-2-3-5-11-9/h8-10H,2-7H2,1H3/t8-,9?/m0/s1.
What are the key properties of (2S)-2-methyl-3-(oxan-2-yloxy)propan-1-ol?
(2S)-2-methyl-3-(oxan-2-yloxy)propan-1-ol has a molecular weight of 174.24 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-3-(oxan-2-yloxy)propan-1-ol is sourced from PubChem (CID 10103649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).