trans-1-O-tert-butyl 2-O-methyl (1R,2R)-cyclopentane-1,2-dicarboxylate

C12H20O4 — CID 70286212

IUPACtrans-1-O-tert-butyl 2-O-methyl (1R,2R)-cyclopentane-1,2-dicarboxylate
SMILESCOC(=O)[C@@H]1CCC[C@H]1C(=O)OC(C)(C)C
InChIInChI=1S/C12H20O4/c1-12(2,3)16-11(14)9-7-5-6-8(9)10(13)15-4/h8-9H,5-7H2,1-4H3/t8-,9-/m1/s1
InChIKeyBUVBGCFNDBSTOH-RKDXNWHRSA-N
MW228.29 g/mol
LogP1.92
Rot. Bonds2

About trans-1-O-tert-butyl 2-O-methyl (1R,2R)-cyclopentane-1,2-dicarboxylate

trans-1-O-tert-butyl 2-O-methyl (1R,2R)-cyclopentane-1,2-dicarboxylate (PubChem CID 70286212) has the molecular formula C12H20O4 and a molecular weight of 228.29 g/mol. Its IUPAC name is trans-1-O-tert-butyl 2-O-methyl (1R,2R)-cyclopentane-1,2-dicarboxylate.

Molecular Properties

Compound Nametrans-1-O-tert-butyl 2-O-methyl (1R,2R)-cyclopentane-1,2-dicarboxylate
PubChem CID70286212
Molecular FormulaC12H20O4
Molecular Weight228.29 g/mol
Exact Mass228.14
IUPAC Nametrans-1-O-tert-butyl 2-O-methyl (1R,2R)-cyclopentane-1,2-dicarboxylate
SMILESCOC(=O)[C@@H]1CCC[C@H]1C(=O)OC(C)(C)C
InChIInChI=1S/C12H20O4/c1-12(2,3)16-11(14)9-7-5-6-8(9)10(13)15-4/h8-9H,5-7H2,1-4H3/t8-,9-/m1/s1
InChIKeyBUVBGCFNDBSTOH-RKDXNWHRSA-N
XLogP1.92
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

trans-methyl (1R,2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylate
CID 11287994
3-O-tert-butyl 4-O-methyl pyrrolidine-3,4-dicarboxylate
CID 141137562
4-O-tert-butyl 2-O-methyl bicyclo[3.1.0]hexane-2,4-dicarboxylate
CID 53488450
trans-methyl (1R,2R)-2-acetylcyclopentane-1-carboxylate
CID 131114083
methyl 2-methylcyclopentane-1-carboxylate
CID 13435361
2-O-tert-butyl 1-O-cyclohexyl cyclohexane-1,2-dicarboxylate
CID 54540024
tert-butyl 2-(methylamino)cyclohexane-1-carboxylate
CID 70853538
cis-tert-butyl (1R,2S)-2-hydrazinylcyclohexane-1-carboxylate
CID 151224928
methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexane-1-carboxylate
CID 20614154
tert-butyl 2-sulfanylcyclohexane-1-carboxylate
CID 138571057
trans-dimethyl (1S,3S)-2-hydroxycyclohexane-1,3-dicarboxylate
CID 6932414
tritert-butyl cyclohexane-1,2,4-tricarboxylate
CID 23444068

Frequently Asked Questions

What is the IUPAC name of trans-1-O-tert-butyl 2-O-methyl (1R,2R)-cyclopentane-1,2-dicarboxylate?
The IUPAC name of trans-1-O-tert-butyl 2-O-methyl (1R,2R)-cyclopentane-1,2-dicarboxylate (CID 70286212) is trans-1-O-tert-butyl 2-O-methyl (1R,2R)-cyclopentane-1,2-dicarboxylate.
What is the SMILES notation for trans-1-O-tert-butyl 2-O-methyl (1R,2R)-cyclopentane-1,2-dicarboxylate?
The canonical SMILES for trans-1-O-tert-butyl 2-O-methyl (1R,2R)-cyclopentane-1,2-dicarboxylate is COC(=O)[C@@H]1CCC[C@H]1C(=O)OC(C)(C)C.
What is the InChIKey of trans-1-O-tert-butyl 2-O-methyl (1R,2R)-cyclopentane-1,2-dicarboxylate?
The InChIKey is BUVBGCFNDBSTOH-RKDXNWHRSA-N. The full InChI is InChI=1S/C12H20O4/c1-12(2,3)16-11(14)9-7-5-6-8(9)10(13)15-4/h8-9H,5-7H2,1-4H3/t8-,9-/m1/s1.
What are the key properties of trans-1-O-tert-butyl 2-O-methyl (1R,2R)-cyclopentane-1,2-dicarboxylate?
trans-1-O-tert-butyl 2-O-methyl (1R,2R)-cyclopentane-1,2-dicarboxylate has a molecular weight of 228.29 g/mol, XLogP of 1.92, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-1-O-tert-butyl 2-O-methyl (1R,2R)-cyclopentane-1,2-dicarboxylate is sourced from PubChem (CID 70286212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).