(2R)-1-(oxan-2-yloxy)butan-2-ol

C9H18O3 — CID 89092451

IUPAC(2R)-1-(oxan-2-yloxy)butan-2-ol
SMILESCC[C@@H](O)COC1CCCCO1
InChIInChI=1S/C9H18O3/c1-2-8(10)7-12-9-5-3-4-6-11-9/h8-10H,2-7H2,1H3/t8-,9?/m1/s1
InChIKeyIEECVJMMTHUMLQ-VEDVMXKPSA-N
MW174.24 g/mol
LogP1.30
Rot. Bonds4

About (2R)-1-(oxan-2-yloxy)butan-2-ol

(2R)-1-(oxan-2-yloxy)butan-2-ol (PubChem CID 89092451) has the molecular formula C9H18O3 and a molecular weight of 174.24 g/mol. Its IUPAC name is (2R)-1-(oxan-2-yloxy)butan-2-ol.

Molecular Properties

Compound Name(2R)-1-(oxan-2-yloxy)butan-2-ol
PubChem CID89092451
Molecular FormulaC9H18O3
Molecular Weight174.24 g/mol
Exact Mass174.13
IUPAC Name(2R)-1-(oxan-2-yloxy)butan-2-ol
SMILESCC[C@@H](O)COC1CCCCO1
InChIInChI=1S/C9H18O3/c1-2-8(10)7-12-9-5-3-4-6-11-9/h8-10H,2-7H2,1H3/t8-,9?/m1/s1
InChIKeyIEECVJMMTHUMLQ-VEDVMXKPSA-N
XLogP1.30
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 ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R)-1-(oxan-2-yloxy)butan-2-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)-1-(oxan-2-yloxy)butan-2-ol?
The IUPAC name of (2R)-1-(oxan-2-yloxy)butan-2-ol (CID 89092451) is (2R)-1-(oxan-2-yloxy)butan-2-ol.
What is the SMILES notation for (2R)-1-(oxan-2-yloxy)butan-2-ol?
The canonical SMILES for (2R)-1-(oxan-2-yloxy)butan-2-ol is CC[C@@H](O)COC1CCCCO1.
What is the InChIKey of (2R)-1-(oxan-2-yloxy)butan-2-ol?
The InChIKey is IEECVJMMTHUMLQ-VEDVMXKPSA-N. The full InChI is InChI=1S/C9H18O3/c1-2-8(10)7-12-9-5-3-4-6-11-9/h8-10H,2-7H2,1H3/t8-,9?/m1/s1.
What are the key properties of (2R)-1-(oxan-2-yloxy)butan-2-ol?
(2R)-1-(oxan-2-yloxy)butan-2-ol has a molecular weight of 174.24 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(oxan-2-yloxy)butan-2-ol is sourced from PubChem (CID 89092451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).