diethyl (4E)-3-(cyclohexylidenemethyl)-4-ethylidenecyclopentane-1,1-dicarboxylate

C20H30O4 — CID 11121201

IUPACdiethyl (4E)-3-(cyclohexylidenemethyl)-4-ethylidenecyclopentane-1,1-dicarboxylate
SMILESC/C=C1\CC(C(=O)OCC)(C(=O)OCC)CC1C=C1CCCCC1
InChIInChI=1S/C20H30O4/c1-4-16-13-20(18(21)23-5-2,19(22)24-6-3)14-17(16)12-15-10-8-7-9-11-15/h4,12,17H,5-11,13-14H2,1-3H3/b16-4+
InChIKeyULMHMEFQUINIOQ-AYSLTRBKSA-N
MW334.46 g/mol
LogP4.35
Rot. Bonds5

About diethyl (4E)-3-(cyclohexylidenemethyl)-4-ethylidenecyclopentane-1,1-dicarboxylate

diethyl (4E)-3-(cyclohexylidenemethyl)-4-ethylidenecyclopentane-1,1-dicarboxylate (PubChem CID 11121201) has the molecular formula C20H30O4 and a molecular weight of 334.46 g/mol. Its IUPAC name is diethyl (4E)-3-(cyclohexylidenemethyl)-4-ethylidenecyclopentane-1,1-dicarboxylate.

Molecular Properties

Compound Namediethyl (4E)-3-(cyclohexylidenemethyl)-4-ethylidenecyclopentane-1,1-dicarboxylate
PubChem CID11121201
Molecular FormulaC20H30O4
Molecular Weight334.46 g/mol
Exact Mass334.21
IUPAC Namediethyl (4E)-3-(cyclohexylidenemethyl)-4-ethylidenecyclopentane-1,1-dicarboxylate
SMILESC/C=C1\CC(C(=O)OCC)(C(=O)OCC)CC1C=C1CCCCC1
InChIInChI=1S/C20H30O4/c1-4-16-13-20(18(21)23-5-2,19(22)24-6-3)14-17(16)12-15-10-8-7-9-11-15/h4,12,17H,5-11,13-14H2,1-3H3/b16-4+
InChIKeyULMHMEFQUINIOQ-AYSLTRBKSA-N
XLogP4.35
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 54.35
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 3-methylcyclopent-3-ene-1,1-dicarboxylate
CID 10977178
1,1-Cyclopentanedicarboxylic acid, 3-methyl-4-methylene-, diethyl ester
CID 11053770
Diethyl 3-prop-1-en-2-ylcyclopent-3-ene-1,1-dicarboxylate
CID 11184313
Diethyl 3-methylene-4-vinylcyclopentane-1,1-dicarboxylate
CID 11776993
Diethyl allyl-2-cyclopenten-1-ylmalonate
CID 15162980
Dimethyl 3-methylene-4-vinyl-1,1-cyclopentanedicarboxylate
CID 10537100
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
Diethyl 4-methyl-5-methylidenecyclohex-3-ene-1,1-dicarboxylate
CID 14140229
Diethyl 4-(2-methylprop-1-enyl)cyclohex-3-ene-1,1-dicarboxylate
CID 101198581

Frequently Asked Questions

What is the IUPAC name of diethyl (4E)-3-(cyclohexylidenemethyl)-4-ethylidenecyclopentane-1,1-dicarboxylate?
The IUPAC name of diethyl (4E)-3-(cyclohexylidenemethyl)-4-ethylidenecyclopentane-1,1-dicarboxylate (CID 11121201) is diethyl (4E)-3-(cyclohexylidenemethyl)-4-ethylidenecyclopentane-1,1-dicarboxylate.
What is the SMILES notation for diethyl (4E)-3-(cyclohexylidenemethyl)-4-ethylidenecyclopentane-1,1-dicarboxylate?
The canonical SMILES for diethyl (4E)-3-(cyclohexylidenemethyl)-4-ethylidenecyclopentane-1,1-dicarboxylate is C/C=C1\CC(C(=O)OCC)(C(=O)OCC)CC1C=C1CCCCC1.
What is the InChIKey of diethyl (4E)-3-(cyclohexylidenemethyl)-4-ethylidenecyclopentane-1,1-dicarboxylate?
The InChIKey is ULMHMEFQUINIOQ-AYSLTRBKSA-N. The full InChI is InChI=1S/C20H30O4/c1-4-16-13-20(18(21)23-5-2,19(22)24-6-3)14-17(16)12-15-10-8-7-9-11-15/h4,12,17H,5-11,13-14H2,1-3H3/b16-4+.
What are the key properties of diethyl (4E)-3-(cyclohexylidenemethyl)-4-ethylidenecyclopentane-1,1-dicarboxylate?
diethyl (4E)-3-(cyclohexylidenemethyl)-4-ethylidenecyclopentane-1,1-dicarboxylate has a molecular weight of 334.46 g/mol, XLogP of 4.35, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl (4E)-3-(cyclohexylidenemethyl)-4-ethylidenecyclopentane-1,1-dicarboxylate is sourced from PubChem (CID 11121201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).