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

C15H16O4 — CID 23243650

IUPACdimethyl 2-(1-phenylethenyl)cyclopropane-1,1-dicarboxylate
SMILESC=C(c1ccccc1)C1CC1(C(=O)OC)C(=O)OC
InChIInChI=1S/C15H16O4/c1-10(11-7-5-4-6-8-11)12-9-15(12,13(16)18-2)14(17)19-3/h4-8,12H,1,9H2,2-3H3
InChIKeyFNKJYBQSUBOUFC-UHFFFAOYSA-N
MW260.29 g/mol
LogP2.05
Rot. Bonds4

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

dimethyl 2-(1-phenylethenyl)cyclopropane-1,1-dicarboxylate (PubChem CID 23243650) has the molecular formula C15H16O4 and a molecular weight of 260.29 g/mol. Its IUPAC name is dimethyl 2-(1-phenylethenyl)cyclopropane-1,1-dicarboxylate.

Molecular Properties

Compound Namedimethyl 2-(1-phenylethenyl)cyclopropane-1,1-dicarboxylate
PubChem CID23243650
Molecular FormulaC15H16O4
Molecular Weight260.29 g/mol
Exact Mass260.10
IUPAC Namedimethyl 2-(1-phenylethenyl)cyclopropane-1,1-dicarboxylate
SMILESC=C(c1ccccc1)C1CC1(C(=O)OC)C(=O)OC
InChIInChI=1S/C15H16O4/c1-10(11-7-5-4-6-8-11)12-9-15(12,13(16)18-2)14(17)19-3/h4-8,12H,1,9H2,2-3H3
InChIKeyFNKJYBQSUBOUFC-UHFFFAOYSA-N
XLogP2.05
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 ≤ 52.05
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

Methyl 4-Phenylbutyrate
CID 281254
Ethyl alpha-benzylacetoacetate
CID 246929
Ethyl 2-ethyl-3-phenylpropanoate
CID 62469
Benzylmalonic acid
CID 12031
Diethyl 2-phenylcyclopropane-1,1-dicarboxylate
CID 258820
Diethyl 2-benzylpropanedioate
CID 69090
Diethyl phenylmalonate
CID 66514
Benzeneacetic acid, alpha-formyl-, methyl ester
CID 110729
1,3-Diethyl 2-(cyanophenylmethyl)propanedioate
CID 658508
Methyl 3-[3-(3-methoxy-3-oxopropyl)phenyl]propanoate
CID 594175
Propanedioic acid, 2-methyl-2-phenyl-, 1,3-diethyl ester
CID 98549
Diethyl 2-fluoro-2-phenylmalonate
CID 4246642

Frequently Asked Questions

What is the IUPAC name of dimethyl 2-(1-phenylethenyl)cyclopropane-1,1-dicarboxylate?
The IUPAC name of dimethyl 2-(1-phenylethenyl)cyclopropane-1,1-dicarboxylate (CID 23243650) is dimethyl 2-(1-phenylethenyl)cyclopropane-1,1-dicarboxylate.
What is the SMILES notation for dimethyl 2-(1-phenylethenyl)cyclopropane-1,1-dicarboxylate?
The canonical SMILES for dimethyl 2-(1-phenylethenyl)cyclopropane-1,1-dicarboxylate is C=C(c1ccccc1)C1CC1(C(=O)OC)C(=O)OC.
What is the InChIKey of dimethyl 2-(1-phenylethenyl)cyclopropane-1,1-dicarboxylate?
The InChIKey is FNKJYBQSUBOUFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O4/c1-10(11-7-5-4-6-8-11)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-(1-phenylethenyl)cyclopropane-1,1-dicarboxylate?
dimethyl 2-(1-phenylethenyl)cyclopropane-1,1-dicarboxylate has a molecular weight of 260.29 g/mol, XLogP of 2.05, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-(1-phenylethenyl)cyclopropane-1,1-dicarboxylate is sourced from PubChem (CID 23243650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).