3-benzyl-2-methylideneoxolane

C12H14O — CID 173031154

IUPAC3-benzyl-2-methylideneoxolane
SMILESC=C1OCCC1Cc1ccccc1
InChIInChI=1S/C12H14O/c1-10-12(7-8-13-10)9-11-5-3-2-4-6-11/h2-6,12H,1,7-9H2
InChIKeyUBNZSDSPOOEVBB-UHFFFAOYSA-N
MW174.24 g/mol
LogP2.78
Rot. Bonds2

About 3-benzyl-2-methylideneoxolane

3-benzyl-2-methylideneoxolane (PubChem CID 173031154) has the molecular formula C12H14O and a molecular weight of 174.24 g/mol. Its IUPAC name is 3-benzyl-2-methylideneoxolane.

Molecular Properties

Compound Name3-benzyl-2-methylideneoxolane
PubChem CID173031154
Molecular FormulaC12H14O
Molecular Weight174.24 g/mol
Exact Mass174.10
IUPAC Name3-benzyl-2-methylideneoxolane
SMILESC=C1OCCC1Cc1ccccc1
InChIInChI=1S/C12H14O/c1-10-12(7-8-13-10)9-11-5-3-2-4-6-11/h2-6,12H,1,7-9H2
InChIKeyUBNZSDSPOOEVBB-UHFFFAOYSA-N
XLogP2.78
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3-benzyl-2-methylideneoxolane 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 3-benzyl-2-methylideneoxolane?
The IUPAC name of 3-benzyl-2-methylideneoxolane (CID 173031154) is 3-benzyl-2-methylideneoxolane.
What is the SMILES notation for 3-benzyl-2-methylideneoxolane?
The canonical SMILES for 3-benzyl-2-methylideneoxolane is C=C1OCCC1Cc1ccccc1.
What is the InChIKey of 3-benzyl-2-methylideneoxolane?
The InChIKey is UBNZSDSPOOEVBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O/c1-10-12(7-8-13-10)9-11-5-3-2-4-6-11/h2-6,12H,1,7-9H2.
What are the key properties of 3-benzyl-2-methylideneoxolane?
3-benzyl-2-methylideneoxolane has a molecular weight of 174.24 g/mol, XLogP of 2.78, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-2-methylideneoxolane is sourced from PubChem (CID 173031154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).