2-[(E)-2-phenylethenyl]oxolane

C12H14O — CID 12508235

IUPAC2-[(E)-2-phenylethenyl]oxolane
SMILESC(=C/C1CCCO1)\c1ccccc1
InChIInChI=1S/C12H14O/c1-2-5-11(6-3-1)8-9-12-7-4-10-13-12/h1-3,5-6,8-9,12H,4,7,10H2/b9-8+
InChIKeyMZGMTIBYFDHKAS-CMDGGOBGSA-N
MW174.24 g/mol
LogP2.88
Rot. Bonds2

About 2-[(E)-2-phenylethenyl]oxolane

2-[(E)-2-phenylethenyl]oxolane (PubChem CID 12508235) has the molecular formula C12H14O and a molecular weight of 174.24 g/mol. Its IUPAC name is 2-[(E)-2-phenylethenyl]oxolane.

Molecular Properties

Compound Name2-[(E)-2-phenylethenyl]oxolane
PubChem CID12508235
Molecular FormulaC12H14O
Molecular Weight174.24 g/mol
Exact Mass174.10
IUPAC Name2-[(E)-2-phenylethenyl]oxolane
SMILESC(=C/C1CCCO1)\c1ccccc1
InChIInChI=1S/C12H14O/c1-2-5-11(6-3-1)8-9-12-7-4-10-13-12/h1-3,5-6,8-9,12H,4,7,10H2/b9-8+
InChIKeyMZGMTIBYFDHKAS-CMDGGOBGSA-N
XLogP2.88
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 ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-phenylethenyl]oxolane?
The IUPAC name of 2-[(E)-2-phenylethenyl]oxolane (CID 12508235) is 2-[(E)-2-phenylethenyl]oxolane.
What is the SMILES notation for 2-[(E)-2-phenylethenyl]oxolane?
The canonical SMILES for 2-[(E)-2-phenylethenyl]oxolane is C(=C/C1CCCO1)\c1ccccc1.
What is the InChIKey of 2-[(E)-2-phenylethenyl]oxolane?
The InChIKey is MZGMTIBYFDHKAS-CMDGGOBGSA-N. The full InChI is InChI=1S/C12H14O/c1-2-5-11(6-3-1)8-9-12-7-4-10-13-12/h1-3,5-6,8-9,12H,4,7,10H2/b9-8+.
What are the key properties of 2-[(E)-2-phenylethenyl]oxolane?
2-[(E)-2-phenylethenyl]oxolane has a molecular weight of 174.24 g/mol, XLogP of 2.88, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-phenylethenyl]oxolane is sourced from PubChem (CID 12508235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).