cis-dimethyl (1R,2S)-4-methoxycyclopentane-1,2-dicarboxylate

C10H16O5 — CID 14489527

IUPACcis-dimethyl (1R,2S)-4-methoxycyclopentane-1,2-dicarboxylate
SMILESCOC(=O)[C@H]1CC(OC)C[C@H]1C(=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/t6?,7-,8+
InChIKeyACAPWAVIOQGQJF-IEESLHIDSA-N
MW216.23 g/mol
LogP0.37
Rot. Bonds3

About cis-dimethyl (1R,2S)-4-methoxycyclopentane-1,2-dicarboxylate

cis-dimethyl (1R,2S)-4-methoxycyclopentane-1,2-dicarboxylate (PubChem CID 14489527) has the molecular formula C10H16O5 and a molecular weight of 216.23 g/mol. Its IUPAC name is cis-dimethyl (1R,2S)-4-methoxycyclopentane-1,2-dicarboxylate.

Molecular Properties

Compound Namecis-dimethyl (1R,2S)-4-methoxycyclopentane-1,2-dicarboxylate
PubChem CID14489527
Molecular FormulaC10H16O5
Molecular Weight216.23 g/mol
Exact Mass216.10
IUPAC Namecis-dimethyl (1R,2S)-4-methoxycyclopentane-1,2-dicarboxylate
SMILESCOC(=O)[C@H]1CC(OC)C[C@H]1C(=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/t6?,7-,8+
InChIKeyACAPWAVIOQGQJF-IEESLHIDSA-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

tetramethyl (1S,2R,4S,5R)-cyclohexane-1,2,4,5-tetracarboxylate
CID 102016488
dimethyl cyclopropane-1,2-dicarboxylate
CID 2724542
2-O-benzyl 1-O-methyl (1R,2R,4R)-4-methoxycyclopentane-1,2-dicarboxylate
CID 153256212
dimethyl (1R,2S,5S)-bicyclo[2.2.1]heptane-2,5-dicarboxylate
CID 174166263
trans-dimethyl (1R,2R)-4-(hydroxymethyl)cyclopentane-1,2-dicarboxylate
CID 10330914
methyl (2S)-2-carbonochloridoylcyclopropane-1-carboxylate
CID 140893068
methyl 2-carbonochloridoylcyclobutane-1-carboxylate
CID 12809237
dimethyl 4-tert-butylcyclopentane-1,2-dicarboxylate
CID 545084
trimethyl (1R,2R,4R)-cyclohexane-1,2,4-tricarboxylate
CID 12616208
methyl 2-(2-methoxycarbonylcyclohexyl)cyclohexane-1-carboxylate
CID 86175836
1,3,5-trimethoxycyclohexane
CID 547415
methyl 3-methoxycyclohexane-1-carboxylate
CID 22933793

Frequently Asked Questions

What is the IUPAC name of cis-dimethyl (1R,2S)-4-methoxycyclopentane-1,2-dicarboxylate?
The IUPAC name of cis-dimethyl (1R,2S)-4-methoxycyclopentane-1,2-dicarboxylate (CID 14489527) is cis-dimethyl (1R,2S)-4-methoxycyclopentane-1,2-dicarboxylate.
What is the SMILES notation for cis-dimethyl (1R,2S)-4-methoxycyclopentane-1,2-dicarboxylate?
The canonical SMILES for cis-dimethyl (1R,2S)-4-methoxycyclopentane-1,2-dicarboxylate is COC(=O)[C@H]1CC(OC)C[C@H]1C(=O)OC.
What is the InChIKey of cis-dimethyl (1R,2S)-4-methoxycyclopentane-1,2-dicarboxylate?
The InChIKey is ACAPWAVIOQGQJF-IEESLHIDSA-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/t6?,7-,8+.
What are the key properties of cis-dimethyl (1R,2S)-4-methoxycyclopentane-1,2-dicarboxylate?
cis-dimethyl (1R,2S)-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 cis-dimethyl (1R,2S)-4-methoxycyclopentane-1,2-dicarboxylate is sourced from PubChem (CID 14489527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).