dimethyl 2-(2-ethenylphenyl)cyclopropane-1,1-dicarboxylate

C15H16O4 — CID 135073558

IUPACdimethyl 2-(2-ethenylphenyl)cyclopropane-1,1-dicarboxylate
SMILESC=Cc1ccccc1C1CC1(C(=O)OC)C(=O)OC
InChIInChI=1S/C15H16O4/c1-4-10-7-5-6-8-11(10)12-9-15(12,13(16)18-2)14(17)19-3/h4-8,12H,1,9H2,2-3H3
InChIKeyIZKAZEOSRYHSOQ-UHFFFAOYSA-N
MW260.29 g/mol
LogP2.15
Rot. Bonds4

About dimethyl 2-(2-ethenylphenyl)cyclopropane-1,1-dicarboxylate

dimethyl 2-(2-ethenylphenyl)cyclopropane-1,1-dicarboxylate (PubChem CID 135073558) has the molecular formula C15H16O4 and a molecular weight of 260.29 g/mol. Its IUPAC name is dimethyl 2-(2-ethenylphenyl)cyclopropane-1,1-dicarboxylate.

Molecular Properties

Compound Namedimethyl 2-(2-ethenylphenyl)cyclopropane-1,1-dicarboxylate
PubChem CID135073558
Molecular FormulaC15H16O4
Molecular Weight260.29 g/mol
Exact Mass260.10
IUPAC Namedimethyl 2-(2-ethenylphenyl)cyclopropane-1,1-dicarboxylate
SMILESC=Cc1ccccc1C1CC1(C(=O)OC)C(=O)OC
InChIInChI=1S/C15H16O4/c1-4-10-7-5-6-8-11(10)12-9-15(12,13(16)18-2)14(17)19-3/h4-8,12H,1,9H2,2-3H3
InChIKeyIZKAZEOSRYHSOQ-UHFFFAOYSA-N
XLogP2.15
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

dimethyl 2-naphthalen-1-ylcyclopropane-1,1-dicarboxylate
CID 132540327
dimethyl 2-[2-(2-phenylethynyl)phenyl]cyclopropane-1,1-dicarboxylate
CID 135028383
cis-(1S,2S)-2-(2-ethynylphenyl)-1-methoxycarbonylcyclopropane-1-carboxylic acid
CID 102368841
dimethyl (2S,5R)-5-ethenyl-2-(2-fluorophenyl)oxolane-3,3-dicarboxylate
CID 102409974
methyl 1-(2-methylprop-2-enoyl)-2-phenylcyclopropane-1-carboxylate
CID 102264441
dimethyl 2-ethenylcyclopropane-1,1-dicarboxylate
CID 10464992
cis-methyl (1R,2R)-1-benzamido-2-ethenylcyclopropane-1-carboxylate
CID 102145889
dimethyl 10-benzyl-9-oxa-10-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene-11,11-dicarboxylate
CID 135066981
dimethyl 2-(3-methoxyphenyl)cyclopropane-1,1-dicarboxylate
CID 132540324
dimethyl 2-[2-(2-quinolin-3-ylethynyl)phenyl]cyclopropane-1,1-dicarboxylate
CID 135028571
1-O-methyl 1-O'-tri(propan-2-yl)silyl 2-phenylcyclopropane-1,1-dicarboxylate
CID 101387645
diethyl 2-(2-chlorophenyl)cyclopropane-1,1-dicarboxylate
CID 12641252

Frequently Asked Questions

What is the IUPAC name of dimethyl 2-(2-ethenylphenyl)cyclopropane-1,1-dicarboxylate?
The IUPAC name of dimethyl 2-(2-ethenylphenyl)cyclopropane-1,1-dicarboxylate (CID 135073558) is dimethyl 2-(2-ethenylphenyl)cyclopropane-1,1-dicarboxylate.
What is the SMILES notation for dimethyl 2-(2-ethenylphenyl)cyclopropane-1,1-dicarboxylate?
The canonical SMILES for dimethyl 2-(2-ethenylphenyl)cyclopropane-1,1-dicarboxylate is C=Cc1ccccc1C1CC1(C(=O)OC)C(=O)OC.
What is the InChIKey of dimethyl 2-(2-ethenylphenyl)cyclopropane-1,1-dicarboxylate?
The InChIKey is IZKAZEOSRYHSOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O4/c1-4-10-7-5-6-8-11(10)12-9-15(12,13(16)18-2)14(17)19-3/h4-8,12H,1,9H2,2-3H3.
What are the key properties of dimethyl 2-(2-ethenylphenyl)cyclopropane-1,1-dicarboxylate?
dimethyl 2-(2-ethenylphenyl)cyclopropane-1,1-dicarboxylate has a molecular weight of 260.29 g/mol, XLogP of 2.15, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-(2-ethenylphenyl)cyclopropane-1,1-dicarboxylate is sourced from PubChem (CID 135073558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).