methyl 3-ethenyl-5-ethylbenzoate

C12H14O2 — CID 118269406

IUPACmethyl 3-ethenyl-5-ethylbenzoate
SMILESC=Cc1cc(CC)cc(C(=O)OC)c1
InChIInChI=1S/C12H14O2/c1-4-9-6-10(5-2)8-11(7-9)12(13)14-3/h4,6-8H,1,5H2,2-3H3
InChIKeyKGMCIYLMPKSRCI-UHFFFAOYSA-N
MW190.24 g/mol
LogP2.68
Rot. Bonds3

About methyl 3-ethenyl-5-ethylbenzoate

methyl 3-ethenyl-5-ethylbenzoate (PubChem CID 118269406) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is methyl 3-ethenyl-5-ethylbenzoate.

Molecular Properties

Compound Namemethyl 3-ethenyl-5-ethylbenzoate
PubChem CID118269406
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Namemethyl 3-ethenyl-5-ethylbenzoate
SMILESC=Cc1cc(CC)cc(C(=O)OC)c1
InChIInChI=1S/C12H14O2/c1-4-9-6-10(5-2)8-11(7-9)12(13)14-3/h4,6-8H,1,5H2,2-3H3
InChIKeyKGMCIYLMPKSRCI-UHFFFAOYSA-N
XLogP2.68
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 3-ethyl-5-ethylsulfanylbenzoate
CID 91876272
methyl 3-ethyl-5-(methoxymethoxy)benzoate
CID 59017125
dimethyl 5-formylbenzene-1,3-dicarboxylate
CID 15183982
dimethyl 5-(chloromethyl)benzene-1,3-dicarboxylate
CID 45108192
1-chloro-3-ethenyl-5-ethylbenzene
CID 171067691
[3,5-bis(methoxycarbonyl)phenyl]methyl-trifluoroboranuide
CID 171374200
methyl 5-ethylpyridine-3-carboxylate
CID 5323747
methyl 3-(1-methoxyethenyl)-5-propylbenzoate
CID 142037167
[(2S)-1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propan-2-yl] 3,5-bis(ethenyl)benzoate
CID 132965727
(3-bromo-5-methoxycarbonylphenyl)methyl-trifluoroboranuide
CID 171374074
methyl 3-[2-(3-methoxycarbonyl-5-methylphenyl)ethyl]-5-methylbenzoate
CID 118119638
dimethyl 5-ethenoxybenzene-1,3-dicarboxylate
CID 130409792

Frequently Asked Questions

What is the IUPAC name of methyl 3-ethenyl-5-ethylbenzoate?
The IUPAC name of methyl 3-ethenyl-5-ethylbenzoate (CID 118269406) is methyl 3-ethenyl-5-ethylbenzoate.
What is the SMILES notation for methyl 3-ethenyl-5-ethylbenzoate?
The canonical SMILES for methyl 3-ethenyl-5-ethylbenzoate is C=Cc1cc(CC)cc(C(=O)OC)c1.
What is the InChIKey of methyl 3-ethenyl-5-ethylbenzoate?
The InChIKey is KGMCIYLMPKSRCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O2/c1-4-9-6-10(5-2)8-11(7-9)12(13)14-3/h4,6-8H,1,5H2,2-3H3.
What are the key properties of methyl 3-ethenyl-5-ethylbenzoate?
methyl 3-ethenyl-5-ethylbenzoate has a molecular weight of 190.24 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-ethenyl-5-ethylbenzoate is sourced from PubChem (CID 118269406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).