2-methyloxolane;hydrate

C5H12O2 — CID 67831299

IUPAC2-methyloxolane;hydrate
SMILESCC1CCCO1.O
InChIInChI=1S/C5H10O.H2O/c1-5-3-2-4-6-5;/h5H,2-4H2,1H3;1H2
InChIKeyOVAWAJRNDPSGHE-UHFFFAOYSA-N
MW104.15 g/mol
LogP0.36
Rot. Bonds

About 2-methyloxolane;hydrate

2-methyloxolane;hydrate (PubChem CID 67831299) has the molecular formula C5H12O2 and a molecular weight of 104.15 g/mol. Its IUPAC name is 2-methyloxolane;hydrate.

Molecular Properties

Compound Name2-methyloxolane;hydrate
PubChem CID67831299
Molecular FormulaC5H12O2
Molecular Weight104.15 g/mol
Exact Mass104.08
IUPAC Name2-methyloxolane;hydrate
SMILESCC1CCCO1.O
InChIInChI=1S/C5H10O.H2O/c1-5-3-2-4-6-5;/h5H,2-4H2,1H3;1H2
InChIKeyOVAWAJRNDPSGHE-UHFFFAOYSA-N
XLogP0.36
TPSA40.73 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.15
LogP ≤ 50.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-methyloxolane;hydrate 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 2-methyloxolane;hydrate?
The IUPAC name of 2-methyloxolane;hydrate (CID 67831299) is 2-methyloxolane;hydrate.
What is the SMILES notation for 2-methyloxolane;hydrate?
The canonical SMILES for 2-methyloxolane;hydrate is CC1CCCO1.O.
What is the InChIKey of 2-methyloxolane;hydrate?
The InChIKey is OVAWAJRNDPSGHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O.H2O/c1-5-3-2-4-6-5;/h5H,2-4H2,1H3;1H2.
What are the key properties of 2-methyloxolane;hydrate?
2-methyloxolane;hydrate has a molecular weight of 104.15 g/mol, XLogP of 0.36, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyloxolane;hydrate is sourced from PubChem (CID 67831299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).