1-ethenyl-2-ethylbenzene;methyl 2-methylprop-2-enoate

C15H20O2 — CID 174879691

IUPAC1-ethenyl-2-ethylbenzene;methyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC.C=Cc1ccccc1CC
InChIInChI=1S/C10H12.C5H8O2/c1-3-9-7-5-6-8-10(9)4-2;1-4(2)5(6)7-3/h3,5-8H,1,4H2,2H3;1H2,2-3H3
InChIKeyVDPPSWWXNANQMB-UHFFFAOYSA-N
MW232.32 g/mol
LogP3.63
Rot. Bonds3

About 1-ethenyl-2-ethylbenzene;methyl 2-methylprop-2-enoate

1-ethenyl-2-ethylbenzene;methyl 2-methylprop-2-enoate (PubChem CID 174879691) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is 1-ethenyl-2-ethylbenzene;methyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name1-ethenyl-2-ethylbenzene;methyl 2-methylprop-2-enoate
PubChem CID174879691
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name1-ethenyl-2-ethylbenzene;methyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC.C=Cc1ccccc1CC
InChIInChI=1S/C10H12.C5H8O2/c1-3-9-7-5-6-8-10(9)4-2;1-4(2)5(6)7-3/h3,5-8H,1,4H2,2H3;1H2,2-3H3
InChIKeyVDPPSWWXNANQMB-UHFFFAOYSA-N
XLogP3.63
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1,2-bis(ethenyl)benzene;1-ethenyl-2-ethylbenzene
CID 18622340
(2-ethenylphenyl) 2-methylprop-2-enoate
CID 19607397
1,2-diphenylethane-1,2-dione;1-ethenyl-2-ethylbenzene
CID 174766934
1-[(2-ethenylphenyl)methylamino]ethyl 2-methylprop-2-enoate
CID 88633921
1,2-bis(ethenyl)benzene;methyl 2-methylprop-2-enoate;prop-2-enenitrile;styrene
CID 6454412
benzene;buta-1,3-diene;methyl 2-methylprop-2-enoate;styrene
CID 159846921
1-(bromomethyl)-2-ethenylbenzene;2-methylprop-1-ene
CID 22617263
benzoic acid;bis(methyl 2-methylprop-2-enoate)
CID 91475407
(2-ethenylphenyl)methanol;3-trimethoxysilylpropyl 2-methylprop-2-enoate
CID 174809447
(Z)-but-2-enedioic acid;methyl 2-methylprop-2-enoate;styrene
CID 70445514
ethane;1-ethenyl-2-ethylbenzene;1,1,1-trifluoroethane
CID 145463333
1-ethenyl-2-ethylbenzene;phenoxybenzene;phosphoric acid
CID 174902871

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-2-ethylbenzene;methyl 2-methylprop-2-enoate?
The IUPAC name of 1-ethenyl-2-ethylbenzene;methyl 2-methylprop-2-enoate (CID 174879691) is 1-ethenyl-2-ethylbenzene;methyl 2-methylprop-2-enoate.
What is the SMILES notation for 1-ethenyl-2-ethylbenzene;methyl 2-methylprop-2-enoate?
The canonical SMILES for 1-ethenyl-2-ethylbenzene;methyl 2-methylprop-2-enoate is C=C(C)C(=O)OC.C=Cc1ccccc1CC.
What is the InChIKey of 1-ethenyl-2-ethylbenzene;methyl 2-methylprop-2-enoate?
The InChIKey is VDPPSWWXNANQMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12.C5H8O2/c1-3-9-7-5-6-8-10(9)4-2;1-4(2)5(6)7-3/h3,5-8H,1,4H2,2H3;1H2,2-3H3.
What are the key properties of 1-ethenyl-2-ethylbenzene;methyl 2-methylprop-2-enoate?
1-ethenyl-2-ethylbenzene;methyl 2-methylprop-2-enoate has a molecular weight of 232.32 g/mol, XLogP of 3.63, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-2-ethylbenzene;methyl 2-methylprop-2-enoate is sourced from PubChem (CID 174879691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).