[(E)-2-propan-2-yloxyethenyl]benzene

C11H14O — CID 12729252

IUPAC[(E)-2-propan-2-yloxyethenyl]benzene
SMILESCC(C)O/C=C/c1ccccc1
InChIInChI=1S/C11H14O/c1-10(2)12-9-8-11-6-4-3-5-7-11/h3-10H,1-2H3/b9-8+
InChIKeyVNOSMVIVSUHSPU-CMDGGOBGSA-N
MW162.23 g/mol
LogP3.08
Rot. Bonds3

About [(E)-2-propan-2-yloxyethenyl]benzene

[(E)-2-propan-2-yloxyethenyl]benzene (PubChem CID 12729252) has the molecular formula C11H14O and a molecular weight of 162.23 g/mol. Its IUPAC name is [(E)-2-propan-2-yloxyethenyl]benzene.

Molecular Properties

Compound Name[(E)-2-propan-2-yloxyethenyl]benzene
PubChem CID12729252
Molecular FormulaC11H14O
Molecular Weight162.23 g/mol
Exact Mass162.10
IUPAC Name[(E)-2-propan-2-yloxyethenyl]benzene
SMILESCC(C)O/C=C/c1ccccc1
InChIInChI=1S/C11H14O/c1-10(2)12-9-8-11-6-4-3-5-7-11/h3-10H,1-2H3/b9-8+
InChIKeyVNOSMVIVSUHSPU-CMDGGOBGSA-N
XLogP3.08
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.23
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(E)-2-propan-2-yloxyethenyl]benzene?
The IUPAC name of [(E)-2-propan-2-yloxyethenyl]benzene (CID 12729252) is [(E)-2-propan-2-yloxyethenyl]benzene.
What is the SMILES notation for [(E)-2-propan-2-yloxyethenyl]benzene?
The canonical SMILES for [(E)-2-propan-2-yloxyethenyl]benzene is CC(C)O/C=C/c1ccccc1.
What is the InChIKey of [(E)-2-propan-2-yloxyethenyl]benzene?
The InChIKey is VNOSMVIVSUHSPU-CMDGGOBGSA-N. The full InChI is InChI=1S/C11H14O/c1-10(2)12-9-8-11-6-4-3-5-7-11/h3-10H,1-2H3/b9-8+.
What are the key properties of [(E)-2-propan-2-yloxyethenyl]benzene?
[(E)-2-propan-2-yloxyethenyl]benzene has a molecular weight of 162.23 g/mol, XLogP of 3.08, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-2-propan-2-yloxyethenyl]benzene is sourced from PubChem (CID 12729252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).