dimethyl 3-methylidene-4-propan-2-ylidenecyclopentane-1,1-dicarboxylate

C13H18O4 — CID 14271087

IUPACdimethyl 3-methylidene-4-propan-2-ylidenecyclopentane-1,1-dicarboxylate
SMILESC=C1CC(C(=O)OC)(C(=O)OC)CC1=C(C)C
InChIInChI=1S/C13H18O4/c1-8(2)10-7-13(6-9(10)3,11(14)16-4)12(15)17-5/h3,6-7H2,1-2,4-5H3
InChIKeyJLQKJJWIUQPPPL-UHFFFAOYSA-N
MW238.28 g/mol
LogP2.01
Rot. Bonds2

About dimethyl 3-methylidene-4-propan-2-ylidenecyclopentane-1,1-dicarboxylate

dimethyl 3-methylidene-4-propan-2-ylidenecyclopentane-1,1-dicarboxylate (PubChem CID 14271087) has the molecular formula C13H18O4 and a molecular weight of 238.28 g/mol. Its IUPAC name is dimethyl 3-methylidene-4-propan-2-ylidenecyclopentane-1,1-dicarboxylate.

Molecular Properties

Compound Namedimethyl 3-methylidene-4-propan-2-ylidenecyclopentane-1,1-dicarboxylate
PubChem CID14271087
Molecular FormulaC13H18O4
Molecular Weight238.28 g/mol
Exact Mass238.12
IUPAC Namedimethyl 3-methylidene-4-propan-2-ylidenecyclopentane-1,1-dicarboxylate
SMILESC=C1CC(C(=O)OC)(C(=O)OC)CC1=C(C)C
InChIInChI=1S/C13H18O4/c1-8(2)10-7-13(6-9(10)3,11(14)16-4)12(15)17-5/h3,6-7H2,1-2,4-5H3
InChIKeyJLQKJJWIUQPPPL-UHFFFAOYSA-N
XLogP2.01
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.28
LogP ≤ 52.01
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

Diethyl 3-methylcyclopent-3-ene-1,1-dicarboxylate
CID 10977178
3-Cyclopentene-1,1-dicarboxylic acid, 3,4-dimethyl-, dimethyl ester
CID 11127576
Diethyl 3-prop-1-en-2-ylcyclopent-3-ene-1,1-dicarboxylate
CID 11184313
Dimethyl 3-ethenyl-4-methylcyclopent-3-ene-1,1-dicarboxylate
CID 10561083
diethyl (3E)-3-ethylidene-4-methylidenecyclopentane-1,1-dicarboxylate
CID 10890391
Dimethyl 3-methyl-4-methylidenecyclopentane-1,1-dicarboxylate
CID 11009242
diethyl (3E)-3-hexylidene-4-methylidenecyclopentane-1,1-dicarboxylate
CID 11023252
Dimethyl 3,4-dimethylcyclopent-2-ene-1,1-dicarboxylate
CID 11298806
1,1-Cyclopentanedicarboxylic acid, 2-methylene-, diethyl ester
CID 11806372
Diethyl 3-(2-methylprop-1-enyl)cyclopent-3-ene-1,1-dicarboxylate
CID 11817979
Diethyl 4-methyl-5-methylidenecyclohex-3-ene-1,1-dicarboxylate
CID 14140229
Dimethyl 3-methyl-4-methylidenecyclopent-2-ene-1,1-dicarboxylate
CID 21670622

Frequently Asked Questions

What is the IUPAC name of dimethyl 3-methylidene-4-propan-2-ylidenecyclopentane-1,1-dicarboxylate?
The IUPAC name of dimethyl 3-methylidene-4-propan-2-ylidenecyclopentane-1,1-dicarboxylate (CID 14271087) is dimethyl 3-methylidene-4-propan-2-ylidenecyclopentane-1,1-dicarboxylate.
What is the SMILES notation for dimethyl 3-methylidene-4-propan-2-ylidenecyclopentane-1,1-dicarboxylate?
The canonical SMILES for dimethyl 3-methylidene-4-propan-2-ylidenecyclopentane-1,1-dicarboxylate is C=C1CC(C(=O)OC)(C(=O)OC)CC1=C(C)C.
What is the InChIKey of dimethyl 3-methylidene-4-propan-2-ylidenecyclopentane-1,1-dicarboxylate?
The InChIKey is JLQKJJWIUQPPPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O4/c1-8(2)10-7-13(6-9(10)3,11(14)16-4)12(15)17-5/h3,6-7H2,1-2,4-5H3.
What are the key properties of dimethyl 3-methylidene-4-propan-2-ylidenecyclopentane-1,1-dicarboxylate?
dimethyl 3-methylidene-4-propan-2-ylidenecyclopentane-1,1-dicarboxylate has a molecular weight of 238.28 g/mol, XLogP of 2.01, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 3-methylidene-4-propan-2-ylidenecyclopentane-1,1-dicarboxylate is sourced from PubChem (CID 14271087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).