3-benzyloxolane

C11H14O — CID 10374748

IUPAC3-benzyloxolane
SMILESc1ccc(CC2CCOC2)cc1
InChIInChI=1S/C11H14O/c1-2-4-10(5-3-1)8-11-6-7-12-9-11/h1-5,11H,6-9H2
InChIKeyPMXWKVSABVAGCT-UHFFFAOYSA-N
MW162.23 g/mol
LogP2.27
Rot. Bonds2

About 3-benzyloxolane

3-benzyloxolane (PubChem CID 10374748) has the molecular formula C11H14O and a molecular weight of 162.23 g/mol. Its IUPAC name is 3-benzyloxolane.

Molecular Properties

Compound Name3-benzyloxolane
PubChem CID10374748
Molecular FormulaC11H14O
Molecular Weight162.23 g/mol
Exact Mass162.10
IUPAC Name3-benzyloxolane
SMILESc1ccc(CC2CCOC2)cc1
InChIInChI=1S/C11H14O/c1-2-4-10(5-3-1)8-11-6-7-12-9-11/h1-5,11H,6-9H2
InChIKeyPMXWKVSABVAGCT-UHFFFAOYSA-N
XLogP2.27
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.23
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-benzyloxolane?
The IUPAC name of 3-benzyloxolane (CID 10374748) is 3-benzyloxolane.
What is the SMILES notation for 3-benzyloxolane?
The canonical SMILES for 3-benzyloxolane is c1ccc(CC2CCOC2)cc1.
What is the InChIKey of 3-benzyloxolane?
The InChIKey is PMXWKVSABVAGCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O/c1-2-4-10(5-3-1)8-11-6-7-12-9-11/h1-5,11H,6-9H2.
What are the key properties of 3-benzyloxolane?
3-benzyloxolane has a molecular weight of 162.23 g/mol, XLogP of 2.27, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyloxolane is sourced from PubChem (CID 10374748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).