dimethyl 4-ethylidenecyclopentane-1,2-dicarboxylate

C11H16O4 — CID 564786

IUPACdimethyl 4-ethylidenecyclopentane-1,2-dicarboxylate
SMILESCC=C1CC(C(=O)OC)C(C(=O)OC)C1
InChIInChI=1S/C11H16O4/c1-4-7-5-8(10(12)14-2)9(6-7)11(13)15-3/h4,8-9H,5-6H2,1-3H3
InChIKeyPDYLXXJTHVSEBG-UHFFFAOYSA-N
MW212.24 g/mol
LogP1.30
Rot. Bonds2

About dimethyl 4-ethylidenecyclopentane-1,2-dicarboxylate

dimethyl 4-ethylidenecyclopentane-1,2-dicarboxylate (PubChem CID 564786) has the molecular formula C11H16O4 and a molecular weight of 212.24 g/mol. Its IUPAC name is dimethyl 4-ethylidenecyclopentane-1,2-dicarboxylate.

Molecular Properties

Compound Namedimethyl 4-ethylidenecyclopentane-1,2-dicarboxylate
PubChem CID564786
Molecular FormulaC11H16O4
Molecular Weight212.24 g/mol
Exact Mass212.10
IUPAC Namedimethyl 4-ethylidenecyclopentane-1,2-dicarboxylate
SMILESCC=C1CC(C(=O)OC)C(C(=O)OC)C1
InChIInChI=1S/C11H16O4/c1-4-7-5-8(10(12)14-2)9(6-7)11(13)15-3/h4,8-9H,5-6H2,1-3H3
InChIKeyPDYLXXJTHVSEBG-UHFFFAOYSA-N
XLogP1.30
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.24
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Dimethyl carbate
CID 10921747
Dimethyl bicyclo(2.2.1)hept-5-ene-2,3-dicarboxylate
CID 38295
2-Methyl bicyclo(2.2.1)hept-5-ene-2,3-dicarboxylate
CID 98465
cis-5-Norbornene-endo-2,3-dicarboxylic acid monomethyl ester
CID 11435525
rel-2-Methyl (1R,2S,3R,4S)-bicyclo(2.2.1)hept-5-ene-2,3-dicarboxylate
CID 10899553
Dimethyl 4-(4-methylpent-3-enyl)cyclohex-4-ene-1,2-dicarboxylate
CID 44320884
Diethyl bicyclo(2.2.1)hept-5-ene-2,3-dicarboxylate
CID 250483
5-Norbornene-2-yl
CID 11020143
4-Cyclohexene-1,2-dicarboxylic acid, 4-methyl-, dimethyl ester
CID 274379
4-(4,8,12-Trimethyl-tridecyl)-cyclohex-4-ene-1,2-dicarboxylic acid dimethyl ester
CID 44320716
dimethyl (1S,2R,3S,4S)-bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate
CID 71774612
(2-Ethylhexenyl)succinic anhydride
CID 6439550

Frequently Asked Questions

What is the IUPAC name of dimethyl 4-ethylidenecyclopentane-1,2-dicarboxylate?
The IUPAC name of dimethyl 4-ethylidenecyclopentane-1,2-dicarboxylate (CID 564786) is dimethyl 4-ethylidenecyclopentane-1,2-dicarboxylate.
What is the SMILES notation for dimethyl 4-ethylidenecyclopentane-1,2-dicarboxylate?
The canonical SMILES for dimethyl 4-ethylidenecyclopentane-1,2-dicarboxylate is CC=C1CC(C(=O)OC)C(C(=O)OC)C1.
What is the InChIKey of dimethyl 4-ethylidenecyclopentane-1,2-dicarboxylate?
The InChIKey is PDYLXXJTHVSEBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O4/c1-4-7-5-8(10(12)14-2)9(6-7)11(13)15-3/h4,8-9H,5-6H2,1-3H3.
What are the key properties of dimethyl 4-ethylidenecyclopentane-1,2-dicarboxylate?
dimethyl 4-ethylidenecyclopentane-1,2-dicarboxylate has a molecular weight of 212.24 g/mol, XLogP of 1.30, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 4-ethylidenecyclopentane-1,2-dicarboxylate is sourced from PubChem (CID 564786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).