1-ethenoxy-2-ethenylbenzene;propane

C13H18O — CID 166126256

IUPAC1-ethenoxy-2-ethenylbenzene;propane
SMILESC=COc1ccccc1C=C.CCC
InChIInChI=1S/C10H10O.C3H8/c1-3-9-7-5-6-8-10(9)11-4-2;1-3-2/h3-8H,1-2H2;3H2,1-2H3
InChIKeyXMMIGFBTVPQESU-UHFFFAOYSA-N
MW190.29 g/mol
LogP4.27
Rot. Bonds3

About 1-ethenoxy-2-ethenylbenzene;propane

1-ethenoxy-2-ethenylbenzene;propane (PubChem CID 166126256) has the molecular formula C13H18O and a molecular weight of 190.29 g/mol. Its IUPAC name is 1-ethenoxy-2-ethenylbenzene;propane.

Molecular Properties

Compound Name1-ethenoxy-2-ethenylbenzene;propane
PubChem CID166126256
Molecular FormulaC13H18O
Molecular Weight190.29 g/mol
Exact Mass190.14
IUPAC Name1-ethenoxy-2-ethenylbenzene;propane
SMILESC=COc1ccccc1C=C.CCC
InChIInChI=1S/C10H10O.C3H8/c1-3-9-7-5-6-8-10(9)11-4-2;1-3-2/h3-8H,1-2H2;3H2,1-2H3
InChIKeyXMMIGFBTVPQESU-UHFFFAOYSA-N
XLogP4.27
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 ≤ 54.27
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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Related Compounds

1-ethenyl-2-heptadecoxybenzene
CID 139672731
1-ethenyl-2-(2-methylpropoxy)benzene
CID 22475776
1,1'-biphenyl;1-ethenyl-2-methoxybenzene
CID 158702776
1-ethenylnaphthalene;propane
CID 90732485
ethane;ethene;1-ethenyl-2-methylbenzene;propane
CID 142045416
CID 19763871
CID 19763871
1-ethenyl-2-heptan-2-yloxybenzene
CID 142728020
4-(2-ethenylphenoxy)butan-1-ol
CID 101029392
(2-ethenylphenyl) 2-methylprop-2-enoate
CID 19607397
benzene;(2-ethenylphenyl) acetate
CID 175577038
1-(chloromethyl)-2-ethenoxybenzene
CID 154327624
1,4-bis(ethenoxy)-2-ethenylbenzene
CID 174997076

Frequently Asked Questions

What is the IUPAC name of 1-ethenoxy-2-ethenylbenzene;propane?
The IUPAC name of 1-ethenoxy-2-ethenylbenzene;propane (CID 166126256) is 1-ethenoxy-2-ethenylbenzene;propane.
What is the SMILES notation for 1-ethenoxy-2-ethenylbenzene;propane?
The canonical SMILES for 1-ethenoxy-2-ethenylbenzene;propane is C=COc1ccccc1C=C.CCC.
What is the InChIKey of 1-ethenoxy-2-ethenylbenzene;propane?
The InChIKey is XMMIGFBTVPQESU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O.C3H8/c1-3-9-7-5-6-8-10(9)11-4-2;1-3-2/h3-8H,1-2H2;3H2,1-2H3.
What are the key properties of 1-ethenoxy-2-ethenylbenzene;propane?
1-ethenoxy-2-ethenylbenzene;propane has a molecular weight of 190.29 g/mol, XLogP of 4.27, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenoxy-2-ethenylbenzene;propane is sourced from PubChem (CID 166126256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).