trans-tert-butyl (1R,3R)-3-methoxycarbonyloxycyclopentane-1-carboxylate

C12H20O5 — CID 174164240

IUPACtrans-tert-butyl (1R,3R)-3-methoxycarbonyloxycyclopentane-1-carboxylate
SMILESCOC(=O)O[C@@H]1CC[C@@H](C(=O)OC(C)(C)C)C1
InChIInChI=1S/C12H20O5/c1-12(2,3)17-10(13)8-5-6-9(7-8)16-11(14)15-4/h8-9H,5-7H2,1-4H3/t8-,9-/m1/s1
InChIKeyBAMCCQPNRMZTJR-RKDXNWHRSA-N
MW244.29 g/mol
LogP2.28
Rot. Bonds2

About trans-tert-butyl (1R,3R)-3-methoxycarbonyloxycyclopentane-1-carboxylate

trans-tert-butyl (1R,3R)-3-methoxycarbonyloxycyclopentane-1-carboxylate (PubChem CID 174164240) has the molecular formula C12H20O5 and a molecular weight of 244.29 g/mol. Its IUPAC name is trans-tert-butyl (1R,3R)-3-methoxycarbonyloxycyclopentane-1-carboxylate.

Molecular Properties

Compound Nametrans-tert-butyl (1R,3R)-3-methoxycarbonyloxycyclopentane-1-carboxylate
PubChem CID174164240
Molecular FormulaC12H20O5
Molecular Weight244.29 g/mol
Exact Mass244.13
IUPAC Nametrans-tert-butyl (1R,3R)-3-methoxycarbonyloxycyclopentane-1-carboxylate
SMILESCOC(=O)O[C@@H]1CC[C@@H](C(=O)OC(C)(C)C)C1
InChIInChI=1S/C12H20O5/c1-12(2,3)17-10(13)8-5-6-9(7-8)16-11(14)15-4/h8-9H,5-7H2,1-4H3/t8-,9-/m1/s1
InChIKeyBAMCCQPNRMZTJR-RKDXNWHRSA-N
XLogP2.28
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 4-methoxycyclohexane-1-carboxylate
CID 59780016
tert-butyl cyclopropanecarboxylate
CID 157212632
tritert-butyl cyclohexane-1,2,4-tricarboxylate
CID 23444068
tert-butyl (1S)-3,4-dimethylcyclohexane-1-carboxylate
CID 118389091
tert-butyl 3-[3-[(2-methylpropan-2-yl)oxycarbonyl]cyclohexanecarbonyl]cyclohexane-1-carboxylate
CID 139789043
tert-butyl (3R)-3-aminocyclopentane-1-carboxylate
CID 121277242
1-O-tert-butyl 3-O-methyl 4-aminocyclohexane-1,3-dicarboxylate
CID 71032749
trans-tert-butyl (1R,3R)-3-(hydroxymethyl)cyclopentane-1-carboxylate
CID 129405365
tert-butyl 4-cyclohexyloxycyclohexane-1-carboxylate
CID 139789040
tert-butyl 4-methylcyclohexane-1-carboxylate
CID 59152157
tert-butyl (4-cyclohexyloxycarbonyloxycyclohexyl) carbonate
CID 23066168
tert-butyl 4-[methoxy(pyrrolidin-1-yl)methoxy]cyclohexane-1-carboxylate
CID 123542516

Frequently Asked Questions

What is the IUPAC name of trans-tert-butyl (1R,3R)-3-methoxycarbonyloxycyclopentane-1-carboxylate?
The IUPAC name of trans-tert-butyl (1R,3R)-3-methoxycarbonyloxycyclopentane-1-carboxylate (CID 174164240) is trans-tert-butyl (1R,3R)-3-methoxycarbonyloxycyclopentane-1-carboxylate.
What is the SMILES notation for trans-tert-butyl (1R,3R)-3-methoxycarbonyloxycyclopentane-1-carboxylate?
The canonical SMILES for trans-tert-butyl (1R,3R)-3-methoxycarbonyloxycyclopentane-1-carboxylate is COC(=O)O[C@@H]1CC[C@@H](C(=O)OC(C)(C)C)C1.
What is the InChIKey of trans-tert-butyl (1R,3R)-3-methoxycarbonyloxycyclopentane-1-carboxylate?
The InChIKey is BAMCCQPNRMZTJR-RKDXNWHRSA-N. The full InChI is InChI=1S/C12H20O5/c1-12(2,3)17-10(13)8-5-6-9(7-8)16-11(14)15-4/h8-9H,5-7H2,1-4H3/t8-,9-/m1/s1.
What are the key properties of trans-tert-butyl (1R,3R)-3-methoxycarbonyloxycyclopentane-1-carboxylate?
trans-tert-butyl (1R,3R)-3-methoxycarbonyloxycyclopentane-1-carboxylate has a molecular weight of 244.29 g/mol, XLogP of 2.28, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trans-tert-butyl (1R,3R)-3-methoxycarbonyloxycyclopentane-1-carboxylate is sourced from PubChem (CID 174164240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).