diethyl cyclopentane-1,3-dicarboxylate

C11H18O4 — CID 66930159

IUPACdiethyl cyclopentane-1,3-dicarboxylate
SMILESCCOC(=O)C1CCC(C(=O)OCC)C1
InChIInChI=1S/C11H18O4/c1-3-14-10(12)8-5-6-9(7-8)11(13)15-4-2/h8-9H,3-7H2,1-2H3
InChIKeyJQQVLBVQBKQHGD-UHFFFAOYSA-N
MW214.26 g/mol
LogP1.53
Rot. Bonds4

About diethyl cyclopentane-1,3-dicarboxylate

diethyl cyclopentane-1,3-dicarboxylate (PubChem CID 66930159) has the molecular formula C11H18O4 and a molecular weight of 214.26 g/mol. Its IUPAC name is diethyl cyclopentane-1,3-dicarboxylate.

Molecular Properties

Compound Namediethyl cyclopentane-1,3-dicarboxylate
PubChem CID66930159
Molecular FormulaC11H18O4
Molecular Weight214.26 g/mol
Exact Mass214.12
IUPAC Namediethyl cyclopentane-1,3-dicarboxylate
SMILESCCOC(=O)C1CCC(C(=O)OCC)C1
InChIInChI=1S/C11H18O4/c1-3-14-10(12)8-5-6-9(7-8)11(13)15-4-2/h8-9H,3-7H2,1-2H3
InChIKeyJQQVLBVQBKQHGD-UHFFFAOYSA-N
XLogP1.53
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

azane;ethyl cyclopropanecarboxylate;hydrochloride
CID 174491802
trans-ethyl (1S,3S)-3-ethoxycyclopentane-1-carboxylate
CID 125113083
ethyl 3,4-dihydroxycyclohexane-1-carboxylate
CID 134861534
trans-ethyl (1R,3R)-3-ethoxycyclopentane-1-carboxylate
CID 125113084
1-O-ethyl 3-O-methyl cyclohexane-1,3-dicarboxylate
CID 66983859
cis-ethyl (1R,3S)-3-(hydroxymethyl)cyclopentane-1-carboxylate
CID 10607292
cis-ethyl (1R,3S)-3-formylcyclopentane-1-carboxylate
CID 10583280
ethyl 4-chlorocyclohexane-1-carboxylate
CID 44558677
ethyl 4-(4-ethoxycarbonylcyclohexyl)cyclohexane-1-carboxylate
CID 126501888
6-ethoxycarbonyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxylic acid
CID 163840432
ethyl (1S,3S,6R)-7-oxabicyclo[4.1.0]heptane-3-carboxylate
CID 57416186
diethyl 5-aminocyclohexane-1,3-dicarboxylate
CID 117273182

Frequently Asked Questions

What is the IUPAC name of diethyl cyclopentane-1,3-dicarboxylate?
The IUPAC name of diethyl cyclopentane-1,3-dicarboxylate (CID 66930159) is diethyl cyclopentane-1,3-dicarboxylate.
What is the SMILES notation for diethyl cyclopentane-1,3-dicarboxylate?
The canonical SMILES for diethyl cyclopentane-1,3-dicarboxylate is CCOC(=O)C1CCC(C(=O)OCC)C1.
What is the InChIKey of diethyl cyclopentane-1,3-dicarboxylate?
The InChIKey is JQQVLBVQBKQHGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O4/c1-3-14-10(12)8-5-6-9(7-8)11(13)15-4-2/h8-9H,3-7H2,1-2H3.
What are the key properties of diethyl cyclopentane-1,3-dicarboxylate?
diethyl cyclopentane-1,3-dicarboxylate has a molecular weight of 214.26 g/mol, XLogP of 1.53, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl cyclopentane-1,3-dicarboxylate is sourced from PubChem (CID 66930159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).