1-(2-methylpropoxy)-3-prop-2-enylbenzene

C13H18O — CID 91656681

IUPAC1-(2-methylpropoxy)-3-prop-2-enylbenzene
SMILESC=CCc1cccc(OCC(C)C)c1
InChIInChI=1S/C13H18O/c1-4-6-12-7-5-8-13(9-12)14-10-11(2)3/h4-5,7-9,11H,1,6,10H2,2-3H3
InChIKeyNHWAKZSYVBYYEY-UHFFFAOYSA-N
MW190.29 g/mol
LogP3.45
Rot. Bonds5

About 1-(2-methylpropoxy)-3-prop-2-enylbenzene

1-(2-methylpropoxy)-3-prop-2-enylbenzene (PubChem CID 91656681) has the molecular formula C13H18O and a molecular weight of 190.29 g/mol. Its IUPAC name is 1-(2-methylpropoxy)-3-prop-2-enylbenzene.

Molecular Properties

Compound Name1-(2-methylpropoxy)-3-prop-2-enylbenzene
PubChem CID91656681
Molecular FormulaC13H18O
Molecular Weight190.29 g/mol
Exact Mass190.14
IUPAC Name1-(2-methylpropoxy)-3-prop-2-enylbenzene
SMILESC=CCc1cccc(OCC(C)C)c1
InChIInChI=1S/C13H18O/c1-4-6-12-7-5-8-13(9-12)14-10-11(2)3/h4-5,7-9,11H,1,6,10H2,2-3H3
InChIKeyNHWAKZSYVBYYEY-UHFFFAOYSA-N
XLogP3.45
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-prop-2-enoxy-3-prop-2-enylbenzene
CID 67362226
1-prop-2-enyl-3-propoxybenzene
CID 91655995
1-[3-(2-methylpropoxy)phenyl]propan-2-amine
CID 60907864
1-fluoro-2-(2-methylpropoxy)-4-prop-2-enylbenzene
CID 91658243
1-prop-2-enyl-3-(4-prop-2-enylphenoxy)benzene
CID 67686849
1-(2-methylpropoxy)-3-propan-2-ylbenzene
CID 23399142
1,3-dimethyl-2-(2-methylpropoxy)-5-prop-2-enylbenzene
CID 173371935
(3-prop-2-enylphenyl) cyanate
CID 23312457
ethane;4-[3-(2-methylpropoxy)phenyl]butan-2-one
CID 176935151
ethane;1-(2-methylpropoxy)-3-propan-2-ylbenzene
CID 142361256
1,1,3,3-tetramethyl-2-[[3-(2-methylpropoxy)phenyl]methyl]guanidine
CID 111082165
N-[[3-(2-methylpropoxy)phenyl]methyl]butan-1-amine
CID 54797369

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropoxy)-3-prop-2-enylbenzene?
The IUPAC name of 1-(2-methylpropoxy)-3-prop-2-enylbenzene (CID 91656681) is 1-(2-methylpropoxy)-3-prop-2-enylbenzene.
What is the SMILES notation for 1-(2-methylpropoxy)-3-prop-2-enylbenzene?
The canonical SMILES for 1-(2-methylpropoxy)-3-prop-2-enylbenzene is C=CCc1cccc(OCC(C)C)c1.
What is the InChIKey of 1-(2-methylpropoxy)-3-prop-2-enylbenzene?
The InChIKey is NHWAKZSYVBYYEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O/c1-4-6-12-7-5-8-13(9-12)14-10-11(2)3/h4-5,7-9,11H,1,6,10H2,2-3H3.
What are the key properties of 1-(2-methylpropoxy)-3-prop-2-enylbenzene?
1-(2-methylpropoxy)-3-prop-2-enylbenzene has a molecular weight of 190.29 g/mol, XLogP of 3.45, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropoxy)-3-prop-2-enylbenzene is sourced from PubChem (CID 91656681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).