3-benzylidene-4-methyloxolane

C12H14O — CID 11725420

IUPAC3-benzylidene-4-methyloxolane
SMILESCC1COCC1=Cc1ccccc1
InChIInChI=1S/C12H14O/c1-10-8-13-9-12(10)7-11-5-3-2-4-6-11/h2-7,10H,8-9H2,1H3
InChIKeyQSXGGNGSLBOJJR-UHFFFAOYSA-N
MW174.24 g/mol
LogP2.74
Rot. Bonds1

About 3-benzylidene-4-methyloxolane

3-benzylidene-4-methyloxolane (PubChem CID 11725420) has the molecular formula C12H14O and a molecular weight of 174.24 g/mol. Its IUPAC name is 3-benzylidene-4-methyloxolane.

Molecular Properties

Compound Name3-benzylidene-4-methyloxolane
PubChem CID11725420
Molecular FormulaC12H14O
Molecular Weight174.24 g/mol
Exact Mass174.10
IUPAC Name3-benzylidene-4-methyloxolane
SMILESCC1COCC1=Cc1ccccc1
InChIInChI=1S/C12H14O/c1-10-8-13-9-12(10)7-11-5-3-2-4-6-11/h2-7,10H,8-9H2,1H3
InChIKeyQSXGGNGSLBOJJR-UHFFFAOYSA-N
XLogP2.74
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-benzylidene-4-methyloxolane?
The IUPAC name of 3-benzylidene-4-methyloxolane (CID 11725420) is 3-benzylidene-4-methyloxolane.
What is the SMILES notation for 3-benzylidene-4-methyloxolane?
The canonical SMILES for 3-benzylidene-4-methyloxolane is CC1COCC1=Cc1ccccc1.
What is the InChIKey of 3-benzylidene-4-methyloxolane?
The InChIKey is QSXGGNGSLBOJJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O/c1-10-8-13-9-12(10)7-11-5-3-2-4-6-11/h2-7,10H,8-9H2,1H3.
What are the key properties of 3-benzylidene-4-methyloxolane?
3-benzylidene-4-methyloxolane has a molecular weight of 174.24 g/mol, XLogP of 2.74, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzylidene-4-methyloxolane is sourced from PubChem (CID 11725420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).