dimethyl 4-methoxycyclopentane-1,2-dicarboxylate

C10H16O5 — CID 14489526

IUPACdimethyl 4-methoxycyclopentane-1,2-dicarboxylate
SMILESCOC(=O)C1CC(OC)CC1C(=O)OC
InChIInChI=1S/C10H16O5/c1-13-6-4-7(9(11)14-2)8(5-6)10(12)15-3/h6-8H,4-5H2,1-3H3
InChIKeyACAPWAVIOQGQJF-UHFFFAOYSA-N
MW216.23 g/mol
LogP0.37
Rot. Bonds3

About dimethyl 4-methoxycyclopentane-1,2-dicarboxylate

dimethyl 4-methoxycyclopentane-1,2-dicarboxylate (PubChem CID 14489526) has the molecular formula C10H16O5 and a molecular weight of 216.23 g/mol. Its IUPAC name is dimethyl 4-methoxycyclopentane-1,2-dicarboxylate.

Molecular Properties

Compound Namedimethyl 4-methoxycyclopentane-1,2-dicarboxylate
PubChem CID14489526
Molecular FormulaC10H16O5
Molecular Weight216.23 g/mol
Exact Mass216.10
IUPAC Namedimethyl 4-methoxycyclopentane-1,2-dicarboxylate
SMILESCOC(=O)C1CC(OC)CC1C(=O)OC
InChIInChI=1S/C10H16O5/c1-13-6-4-7(9(11)14-2)8(5-6)10(12)15-3/h6-8H,4-5H2,1-3H3
InChIKeyACAPWAVIOQGQJF-UHFFFAOYSA-N
XLogP0.37
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.23
LogP ≤ 50.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

rel-(1R,2R)-4-Hydroxy-1,2-cyclopentanedicarboxylic acid
CID 57737501
4-Hydroxy-cyclopentane-1,2-dicarboxylic acid, dimethyl ester
CID 560100
trans-diethyl (1R,2R)-4-(2,2,2-trifluoroethoxy)cyclopentane-1,2-dicarboxylate
CID 70039302
Ethyl 2-ethyl-4-fluorooxycyclopentane-1-carboxylate
CID 166968041
methyl 2-[(1S,2R,4S)-4-hydroxy-2-(hydroxymethyl)cyclopentyl]acetate
CID 18652277
Triethyl cyclopentane-1,2,4-tricarboxylate
CID 145511988
(1R,2S,4S)-2-methoxycarbonyl-4-(methoxymethoxy)cyclopentane-1-carboxylic acid
CID 24813508
(1R,2R,4S)-2-methoxycarbonyl-4-(methoxymethoxy)cyclopentane-1-carboxylic acid
CID 24813509
methyl (1R,2R,4S)-2-formyl-4-(methoxymethoxy)cyclopentane-1-carboxylate
CID 24813510
dimethyl (1S,2S,3R)-3-hydroxycyclopentane-1,2-dicarboxylate
CID 101513831
Dimethyl 2-(2-ethoxycyclopentyl)butanedioate
CID 134901824
trans-(1R,2R)-4-(methoxymethoxy)cyclopentane-1,2-dicarboxylic acid
CID 135037953

Frequently Asked Questions

What is the IUPAC name of dimethyl 4-methoxycyclopentane-1,2-dicarboxylate?
The IUPAC name of dimethyl 4-methoxycyclopentane-1,2-dicarboxylate (CID 14489526) is dimethyl 4-methoxycyclopentane-1,2-dicarboxylate.
What is the SMILES notation for dimethyl 4-methoxycyclopentane-1,2-dicarboxylate?
The canonical SMILES for dimethyl 4-methoxycyclopentane-1,2-dicarboxylate is COC(=O)C1CC(OC)CC1C(=O)OC.
What is the InChIKey of dimethyl 4-methoxycyclopentane-1,2-dicarboxylate?
The InChIKey is ACAPWAVIOQGQJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O5/c1-13-6-4-7(9(11)14-2)8(5-6)10(12)15-3/h6-8H,4-5H2,1-3H3.
What are the key properties of dimethyl 4-methoxycyclopentane-1,2-dicarboxylate?
dimethyl 4-methoxycyclopentane-1,2-dicarboxylate has a molecular weight of 216.23 g/mol, XLogP of 0.37, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 4-methoxycyclopentane-1,2-dicarboxylate is sourced from PubChem (CID 14489526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).