diethyl 2-methyl-3-[(Z)-(113C)prop-1-enyl]cyclopent-3-ene-1,1-dicarboxylate

C15H22O4 — CID 101120888

IUPACdiethyl 2-methyl-3-[(Z)-(113C)prop-1-enyl]cyclopent-3-ene-1,1-dicarboxylate
SMILESC/C=[13CH]\C1=CCC(C(=O)OCC)(C(=O)OCC)C1C
InChIInChI=1S/C15H22O4/c1-5-8-12-9-10-15(11(12)4,13(16)18-6-2)14(17)19-7-3/h5,8-9,11H,6-7,10H2,1-4H3/b8-5-/i8+1
InChIKeyLYXWXKJJTZMOIK-KFJGHZKNSA-N
MW267.33 g/mol
LogP2.64
Rot. Bonds5

About diethyl 2-methyl-3-[(Z)-(113C)prop-1-enyl]cyclopent-3-ene-1,1-dicarboxylate

diethyl 2-methyl-3-[(Z)-(113C)prop-1-enyl]cyclopent-3-ene-1,1-dicarboxylate (PubChem CID 101120888) has the molecular formula C15H22O4 and a molecular weight of 267.33 g/mol. Its IUPAC name is diethyl 2-methyl-3-[(Z)-(113C)prop-1-enyl]cyclopent-3-ene-1,1-dicarboxylate.

Molecular Properties

Compound Namediethyl 2-methyl-3-[(Z)-(113C)prop-1-enyl]cyclopent-3-ene-1,1-dicarboxylate
PubChem CID101120888
Molecular FormulaC15H22O4
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Namediethyl 2-methyl-3-[(Z)-(113C)prop-1-enyl]cyclopent-3-ene-1,1-dicarboxylate
SMILESC/C=[13CH]\C1=CCC(C(=O)OCC)(C(=O)OCC)C1C
InChIInChI=1S/C15H22O4/c1-5-8-12-9-10-15(11(12)4,13(16)18-6-2)14(17)19-7-3/h5,8-9,11H,6-7,10H2,1-4H3/b8-5-/i8+1
InChIKeyLYXWXKJJTZMOIK-KFJGHZKNSA-N
XLogP2.64
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze diethyl 2-methyl-3-[(Z)-(113C)prop-1-enyl]cyclopent-3-ene-1,1-dicarboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 1-acetyl-4-methyl-6-propylcyclohex-3-ene-1-carboxylate
CID 3019437
ethyl 1,3-dimethylcyclopent-3-ene-1-carboxylate
CID 158121003
diethyl 4-methyl-5-oxooxolane-3,3-dicarboxylate
CID 131888286
diethyl 2-methyl-2,5-dihydropyran-6,6-dicarboxylate
CID 565728
diethyl 2-[(Z)-1-phenylprop-1-enyl]cyclobutane-1,1-dicarboxylate
CID 101202223
diethyl 2-fluorocyclopropane-1,1-dicarboxylate
CID 134464391
diethyl 3-[(Z)-3,3,3-trideuterioprop-1-enyl]cyclopent-3-ene-1,1-dicarboxylate
CID 101120890
ethyl (1R,4R)-2,2-difluorobicyclo[2.1.0]pentane-1-carboxylate
CID 10678846
diethyl 2-[(Z)-1-(4-methoxyphenyl)prop-1-enyl]cyclobutane-1,1-dicarboxylate
CID 101202224
diethyl (5S,6R)-5-benzoyl-6-methylcyclohex-3-ene-1,1-dicarboxylate
CID 15498417
diethyl (2R)-2-(4-chlorophenyl)cyclopropane-1,1-dicarboxylate
CID 6933747
cis-ethyl (1R,2R)-1-chloro-2-phenylcyclopropane-1-carboxylate
CID 25137557

Frequently Asked Questions

What is the IUPAC name of diethyl 2-methyl-3-[(Z)-(113C)prop-1-enyl]cyclopent-3-ene-1,1-dicarboxylate?
The IUPAC name of diethyl 2-methyl-3-[(Z)-(113C)prop-1-enyl]cyclopent-3-ene-1,1-dicarboxylate (CID 101120888) is diethyl 2-methyl-3-[(Z)-(113C)prop-1-enyl]cyclopent-3-ene-1,1-dicarboxylate.
What is the SMILES notation for diethyl 2-methyl-3-[(Z)-(113C)prop-1-enyl]cyclopent-3-ene-1,1-dicarboxylate?
The canonical SMILES for diethyl 2-methyl-3-[(Z)-(113C)prop-1-enyl]cyclopent-3-ene-1,1-dicarboxylate is C/C=[13CH]\C1=CCC(C(=O)OCC)(C(=O)OCC)C1C.
What is the InChIKey of diethyl 2-methyl-3-[(Z)-(113C)prop-1-enyl]cyclopent-3-ene-1,1-dicarboxylate?
The InChIKey is LYXWXKJJTZMOIK-KFJGHZKNSA-N. The full InChI is InChI=1S/C15H22O4/c1-5-8-12-9-10-15(11(12)4,13(16)18-6-2)14(17)19-7-3/h5,8-9,11H,6-7,10H2,1-4H3/b8-5-/i8+1.
What are the key properties of diethyl 2-methyl-3-[(Z)-(113C)prop-1-enyl]cyclopent-3-ene-1,1-dicarboxylate?
diethyl 2-methyl-3-[(Z)-(113C)prop-1-enyl]cyclopent-3-ene-1,1-dicarboxylate has a molecular weight of 267.33 g/mol, XLogP of 2.64, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-methyl-3-[(Z)-(113C)prop-1-enyl]cyclopent-3-ene-1,1-dicarboxylate is sourced from PubChem (CID 101120888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).