[(E)-3-[(2-methylpropan-2-yl)oxy]prop-1-enyl]benzene

C13H18O — CID 10932247

IUPAC[(E)-3-[(2-methylpropan-2-yl)oxy]prop-1-enyl]benzene
SMILESCC(C)(C)OC/C=C/c1ccccc1
InChIInChI=1S/C13H18O/c1-13(2,3)14-11-7-10-12-8-5-4-6-9-12/h4-10H,11H2,1-3H3/b10-7+
InChIKeyJHRXFDOUKQYGPW-JXMROGBWSA-N
MW190.29 g/mol
LogP3.51
Rot. Bonds3

About [(E)-3-[(2-methylpropan-2-yl)oxy]prop-1-enyl]benzene

[(E)-3-[(2-methylpropan-2-yl)oxy]prop-1-enyl]benzene (PubChem CID 10932247) has the molecular formula C13H18O and a molecular weight of 190.29 g/mol. Its IUPAC name is [(E)-3-[(2-methylpropan-2-yl)oxy]prop-1-enyl]benzene.

Molecular Properties

Compound Name[(E)-3-[(2-methylpropan-2-yl)oxy]prop-1-enyl]benzene
PubChem CID10932247
Molecular FormulaC13H18O
Molecular Weight190.29 g/mol
Exact Mass190.14
IUPAC Name[(E)-3-[(2-methylpropan-2-yl)oxy]prop-1-enyl]benzene
SMILESCC(C)(C)OC/C=C/c1ccccc1
InChIInChI=1S/C13H18O/c1-13(2,3)14-11-7-10-12-8-5-4-6-9-12/h4-10H,11H2,1-3H3/b10-7+
InChIKeyJHRXFDOUKQYGPW-JXMROGBWSA-N
XLogP3.51
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [(E)-3-[(2-methylpropan-2-yl)oxy]prop-1-enyl]benzene?
The IUPAC name of [(E)-3-[(2-methylpropan-2-yl)oxy]prop-1-enyl]benzene (CID 10932247) is [(E)-3-[(2-methylpropan-2-yl)oxy]prop-1-enyl]benzene.
What is the SMILES notation for [(E)-3-[(2-methylpropan-2-yl)oxy]prop-1-enyl]benzene?
The canonical SMILES for [(E)-3-[(2-methylpropan-2-yl)oxy]prop-1-enyl]benzene is CC(C)(C)OC/C=C/c1ccccc1.
What is the InChIKey of [(E)-3-[(2-methylpropan-2-yl)oxy]prop-1-enyl]benzene?
The InChIKey is JHRXFDOUKQYGPW-JXMROGBWSA-N. The full InChI is InChI=1S/C13H18O/c1-13(2,3)14-11-7-10-12-8-5-4-6-9-12/h4-10H,11H2,1-3H3/b10-7+.
What are the key properties of [(E)-3-[(2-methylpropan-2-yl)oxy]prop-1-enyl]benzene?
[(E)-3-[(2-methylpropan-2-yl)oxy]prop-1-enyl]benzene has a molecular weight of 190.29 g/mol, XLogP of 3.51, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3-[(2-methylpropan-2-yl)oxy]prop-1-enyl]benzene is sourced from PubChem (CID 10932247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).