oxolane;hydrochloride

C4H9ClO — CID 18422008

IUPACoxolane;hydrochloride
SMILESC1CCOC1.Cl
InChIInChI=1S/C4H8O.ClH/c1-2-4-5-3-1;/h1-4H2;1H
InChIKeySMPAPEKFGLKOIC-UHFFFAOYSA-N
MW108.57 g/mol
LogP1.22
Rot. Bonds

About oxolane;hydrochloride

oxolane;hydrochloride (PubChem CID 18422008) has the molecular formula C4H9ClO and a molecular weight of 108.57 g/mol. Its IUPAC name is oxolane;hydrochloride.

Molecular Properties

Compound Nameoxolane;hydrochloride
PubChem CID18422008
Molecular FormulaC4H9ClO
Molecular Weight108.57 g/mol
Exact Mass108.03
IUPAC Nameoxolane;hydrochloride
SMILESC1CCOC1.Cl
InChIInChI=1S/C4H8O.ClH/c1-2-4-5-3-1;/h1-4H2;1H
InChIKeySMPAPEKFGLKOIC-UHFFFAOYSA-N
XLogP1.22
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.57
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze oxolane;hydrochloride 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 oxolane;hydrochloride?
The IUPAC name of oxolane;hydrochloride (CID 18422008) is oxolane;hydrochloride.
What is the SMILES notation for oxolane;hydrochloride?
The canonical SMILES for oxolane;hydrochloride is C1CCOC1.Cl.
What is the InChIKey of oxolane;hydrochloride?
The InChIKey is SMPAPEKFGLKOIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O.ClH/c1-2-4-5-3-1;/h1-4H2;1H.
What are the key properties of oxolane;hydrochloride?
oxolane;hydrochloride has a molecular weight of 108.57 g/mol, XLogP of 1.22, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for oxolane;hydrochloride is sourced from PubChem (CID 18422008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).