dimethyl 2-prop-1-enylcyclopropane-1,1-dicarboxylate

C10H14O4 — CID 556403

IUPACdimethyl 2-prop-1-enylcyclopropane-1,1-dicarboxylate
SMILESCC=CC1CC1(C(=O)OC)C(=O)OC
InChIInChI=1S/C10H14O4/c1-4-5-7-6-10(7,8(11)13-2)9(12)14-3/h4-5,7H,6H2,1-3H3
InChIKeyMWEQOMFDSQABGO-UHFFFAOYSA-N
MW198.22 g/mol
LogP0.91
Rot. Bonds3

About dimethyl 2-prop-1-enylcyclopropane-1,1-dicarboxylate

dimethyl 2-prop-1-enylcyclopropane-1,1-dicarboxylate (PubChem CID 556403) has the molecular formula C10H14O4 and a molecular weight of 198.22 g/mol. Its IUPAC name is dimethyl 2-prop-1-enylcyclopropane-1,1-dicarboxylate.

Molecular Properties

Compound Namedimethyl 2-prop-1-enylcyclopropane-1,1-dicarboxylate
PubChem CID556403
Molecular FormulaC10H14O4
Molecular Weight198.22 g/mol
Exact Mass198.09
IUPAC Namedimethyl 2-prop-1-enylcyclopropane-1,1-dicarboxylate
SMILESCC=CC1CC1(C(=O)OC)C(=O)OC
InChIInChI=1S/C10H14O4/c1-4-5-7-6-10(7,8(11)13-2)9(12)14-3/h4-5,7H,6H2,1-3H3
InChIKeyMWEQOMFDSQABGO-UHFFFAOYSA-N
XLogP0.91
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Diethyl 2-vinylcyclopropane-1,1-dicarboxylate
CID 111025
1,1-Dimethyl 2-ethenylcyclopropane-1,1-dicarboxylate
CID 10464992
diethyl (2R)-2-ethenylcyclopropane-1,1-dicarboxylate
CID 640069
dimethyl 2,2-dimethyl-3-[(E)-3,3,3-trifluoroprop-1-enyl]cyclopropane-1,1-dicarboxylate
CID 14245368
Dimethyl bicyclo[3.1.0]hex-2-ene-6,6-dicarboxylate
CID 320841
dimethyl 2-[(E)-3-cyclopropylprop-2-enyl]-2-(2-methylprop-2-enyl)propanedioate
CID 10978399
dimethyl 2-methyl-3-[(1E)-3-methylbuta-1,3-dienyl]cyclopropane-1,1-dicarboxylate
CID 12772403
dimethyl 2-[(E)-3-cyclopropylbut-2-enyl]-2-prop-2-enylpropanedioate
CID 15369600
Dimethyl 2-methyl-2-(3-methyl-1-vinylbut-2-enyl)malonate
CID 22986738
dimethyl 2-[(E)-3-cyclopropyl-2-methylprop-2-enyl]-2-prop-2-enylpropanedioate
CID 101945243
dimethyl 2-but-3-enyl-2-[(E)-3-cyclopropylprop-2-enyl]propanedioate
CID 101945244
dimethyl 2-[(4E)-hexa-1,4-dien-3-yl]-2-methylpropanedioate
CID 134898068

Frequently Asked Questions

What is the IUPAC name of dimethyl 2-prop-1-enylcyclopropane-1,1-dicarboxylate?
The IUPAC name of dimethyl 2-prop-1-enylcyclopropane-1,1-dicarboxylate (CID 556403) is dimethyl 2-prop-1-enylcyclopropane-1,1-dicarboxylate.
What is the SMILES notation for dimethyl 2-prop-1-enylcyclopropane-1,1-dicarboxylate?
The canonical SMILES for dimethyl 2-prop-1-enylcyclopropane-1,1-dicarboxylate is CC=CC1CC1(C(=O)OC)C(=O)OC.
What is the InChIKey of dimethyl 2-prop-1-enylcyclopropane-1,1-dicarboxylate?
The InChIKey is MWEQOMFDSQABGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O4/c1-4-5-7-6-10(7,8(11)13-2)9(12)14-3/h4-5,7H,6H2,1-3H3.
What are the key properties of dimethyl 2-prop-1-enylcyclopropane-1,1-dicarboxylate?
dimethyl 2-prop-1-enylcyclopropane-1,1-dicarboxylate has a molecular weight of 198.22 g/mol, XLogP of 0.91, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-prop-1-enylcyclopropane-1,1-dicarboxylate is sourced from PubChem (CID 556403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).