(3E)-3-benzylideneoxolane

C11H12O — CID 15836176

IUPAC(3E)-3-benzylideneoxolane
SMILESC(=C1\CCOC1)\c1ccccc1
InChIInChI=1S/C11H12O/c1-2-4-10(5-3-1)8-11-6-7-12-9-11/h1-5,8H,6-7,9H2/b11-8+
InChIKeyWNTSZSCAHDTLAB-DHZHZOJOSA-N
MW160.22 g/mol
LogP2.49
Rot. Bonds1

About (3E)-3-benzylideneoxolane

(3E)-3-benzylideneoxolane (PubChem CID 15836176) has the molecular formula C11H12O and a molecular weight of 160.22 g/mol. Its IUPAC name is (3E)-3-benzylideneoxolane.

Molecular Properties

Compound Name(3E)-3-benzylideneoxolane
PubChem CID15836176
Molecular FormulaC11H12O
Molecular Weight160.22 g/mol
Exact Mass160.09
IUPAC Name(3E)-3-benzylideneoxolane
SMILESC(=C1\CCOC1)\c1ccccc1
InChIInChI=1S/C11H12O/c1-2-4-10(5-3-1)8-11-6-7-12-9-11/h1-5,8H,6-7,9H2/b11-8+
InChIKeyWNTSZSCAHDTLAB-DHZHZOJOSA-N
XLogP2.49
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3E)-3-benzylideneoxolane?
The IUPAC name of (3E)-3-benzylideneoxolane (CID 15836176) is (3E)-3-benzylideneoxolane.
What is the SMILES notation for (3E)-3-benzylideneoxolane?
The canonical SMILES for (3E)-3-benzylideneoxolane is C(=C1\CCOC1)\c1ccccc1.
What is the InChIKey of (3E)-3-benzylideneoxolane?
The InChIKey is WNTSZSCAHDTLAB-DHZHZOJOSA-N. The full InChI is InChI=1S/C11H12O/c1-2-4-10(5-3-1)8-11-6-7-12-9-11/h1-5,8H,6-7,9H2/b11-8+.
What are the key properties of (3E)-3-benzylideneoxolane?
(3E)-3-benzylideneoxolane has a molecular weight of 160.22 g/mol, XLogP of 2.49, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-benzylideneoxolane is sourced from PubChem (CID 15836176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).