diethyl 1,2,3-trimethylcyclopentane-1,3-dicarboxylate

C14H24O4 — CID 143831911

IUPACdiethyl 1,2,3-trimethylcyclopentane-1,3-dicarboxylate
SMILESCCOC(=O)C1(C)CCC(C)(C(=O)OCC)C1C
InChIInChI=1S/C14H24O4/c1-6-17-11(15)13(4)8-9-14(5,10(13)3)12(16)18-7-2/h10H,6-9H2,1-5H3
InChIKeyFCWPZKOFTRNECB-UHFFFAOYSA-N
MW256.34 g/mol
LogP2.56
Rot. Bonds4

About diethyl 1,2,3-trimethylcyclopentane-1,3-dicarboxylate

diethyl 1,2,3-trimethylcyclopentane-1,3-dicarboxylate (PubChem CID 143831911) has the molecular formula C14H24O4 and a molecular weight of 256.34 g/mol. Its IUPAC name is diethyl 1,2,3-trimethylcyclopentane-1,3-dicarboxylate.

Molecular Properties

Compound Namediethyl 1,2,3-trimethylcyclopentane-1,3-dicarboxylate
PubChem CID143831911
Molecular FormulaC14H24O4
Molecular Weight256.34 g/mol
Exact Mass256.17
IUPAC Namediethyl 1,2,3-trimethylcyclopentane-1,3-dicarboxylate
SMILESCCOC(=O)C1(C)CCC(C)(C(=O)OCC)C1C
InChIInChI=1S/C14H24O4/c1-6-17-11(15)13(4)8-9-14(5,10(13)3)12(16)18-7-2/h10H,6-9H2,1-5H3
InChIKeyFCWPZKOFTRNECB-UHFFFAOYSA-N
XLogP2.56
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-ethoxy-1-methylcyclopentane-1-carboxylate
CID 141101066
trans-ethyl (1S,2R)-1-methyl-2-prop-1-en-2-ylcyclobutane-1-carboxylate
CID 102361775
trans-ethyl (1S,2R)-2-(2-ethoxy-2-oxoethyl)-1-methylcyclopentane-1-carboxylate
CID 14958532
ethyl 4-amino-3-methyloxolane-3-carboxylate
CID 66250331
ethyl (2S,3R)-2,3-dimethyloxirane-2-carboxylate
CID 45090035
ethyl 1,4-dimethylcyclohexane-1-carboxylate;ethyl 4-hydroxy-1-methylcyclohexane-1-carboxylate
CID 159386259
ethyl (1S,6S)-7-methylbicyclo[4.1.0]heptane-7-carboxylate
CID 6932755
ethyl 3-fluoro-1-methylcyclobutane-1-carboxylate
CID 89136662
diethyl 1,3-dimethyl-2-(2-phenylphenyl)cyclopentane-1,3-dicarboxylate
CID 58112707
ethyl 2-methyl-7-oxabicyclo[2.2.1]heptane-2-carboxylate
CID 130627068
ethyl 1-ethoxy-4-methylcyclohexane-1-carboxylate
CID 129125852
ethyl 1-(4-methyl-1,3-dioxetan-2-yl)cyclopropane-1-carboxylate
CID 67962947

Frequently Asked Questions

What is the IUPAC name of diethyl 1,2,3-trimethylcyclopentane-1,3-dicarboxylate?
The IUPAC name of diethyl 1,2,3-trimethylcyclopentane-1,3-dicarboxylate (CID 143831911) is diethyl 1,2,3-trimethylcyclopentane-1,3-dicarboxylate.
What is the SMILES notation for diethyl 1,2,3-trimethylcyclopentane-1,3-dicarboxylate?
The canonical SMILES for diethyl 1,2,3-trimethylcyclopentane-1,3-dicarboxylate is CCOC(=O)C1(C)CCC(C)(C(=O)OCC)C1C.
What is the InChIKey of diethyl 1,2,3-trimethylcyclopentane-1,3-dicarboxylate?
The InChIKey is FCWPZKOFTRNECB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O4/c1-6-17-11(15)13(4)8-9-14(5,10(13)3)12(16)18-7-2/h10H,6-9H2,1-5H3.
What are the key properties of diethyl 1,2,3-trimethylcyclopentane-1,3-dicarboxylate?
diethyl 1,2,3-trimethylcyclopentane-1,3-dicarboxylate has a molecular weight of 256.34 g/mol, XLogP of 2.56, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 1,2,3-trimethylcyclopentane-1,3-dicarboxylate is sourced from PubChem (CID 143831911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).