trans-diethyl (1R,2R)-cyclopentane-1,2-dicarboxylate

C11H18O4 — CID 57377009

IUPACtrans-diethyl (1R,2R)-cyclopentane-1,2-dicarboxylate
SMILESCCOC(=O)[C@@H]1CCC[C@H]1C(=O)OCC
InChIInChI=1S/C11H18O4/c1-3-14-10(12)8-6-5-7-9(8)11(13)15-4-2/h8-9H,3-7H2,1-2H3/t8-,9-/m1/s1
InChIKeyYLRALQSVMCXBSD-RKDXNWHRSA-N
MW214.26 g/mol
LogP1.53
Rot. Bonds4

About trans-diethyl (1R,2R)-cyclopentane-1,2-dicarboxylate

trans-diethyl (1R,2R)-cyclopentane-1,2-dicarboxylate (PubChem CID 57377009) has the molecular formula C11H18O4 and a molecular weight of 214.26 g/mol. Its IUPAC name is trans-diethyl (1R,2R)-cyclopentane-1,2-dicarboxylate.

Molecular Properties

Compound Nametrans-diethyl (1R,2R)-cyclopentane-1,2-dicarboxylate
PubChem CID57377009
Molecular FormulaC11H18O4
Molecular Weight214.26 g/mol
Exact Mass214.12
IUPAC Nametrans-diethyl (1R,2R)-cyclopentane-1,2-dicarboxylate
SMILESCCOC(=O)[C@@H]1CCC[C@H]1C(=O)OCC
InChIInChI=1S/C11H18O4/c1-3-14-10(12)8-6-5-7-9(8)11(13)15-4-2/h8-9H,3-7H2,1-2H3/t8-,9-/m1/s1
InChIKeyYLRALQSVMCXBSD-RKDXNWHRSA-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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Frequently Asked Questions

What is the IUPAC name of trans-diethyl (1R,2R)-cyclopentane-1,2-dicarboxylate?
The IUPAC name of trans-diethyl (1R,2R)-cyclopentane-1,2-dicarboxylate (CID 57377009) is trans-diethyl (1R,2R)-cyclopentane-1,2-dicarboxylate.
What is the SMILES notation for trans-diethyl (1R,2R)-cyclopentane-1,2-dicarboxylate?
The canonical SMILES for trans-diethyl (1R,2R)-cyclopentane-1,2-dicarboxylate is CCOC(=O)[C@@H]1CCC[C@H]1C(=O)OCC.
What is the InChIKey of trans-diethyl (1R,2R)-cyclopentane-1,2-dicarboxylate?
The InChIKey is YLRALQSVMCXBSD-RKDXNWHRSA-N. The full InChI is InChI=1S/C11H18O4/c1-3-14-10(12)8-6-5-7-9(8)11(13)15-4-2/h8-9H,3-7H2,1-2H3/t8-,9-/m1/s1.
What are the key properties of trans-diethyl (1R,2R)-cyclopentane-1,2-dicarboxylate?
trans-diethyl (1R,2R)-cyclopentane-1,2-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 trans-diethyl (1R,2R)-cyclopentane-1,2-dicarboxylate is sourced from PubChem (CID 57377009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).