trans-ethyl (1R,2R)-2-methoxy-2-methylcyclopropane-1-carboxylate

C8H14O3 — CID 11030087

IUPACtrans-ethyl (1R,2R)-2-methoxy-2-methylcyclopropane-1-carboxylate
SMILESCCOC(=O)[C@@H]1C[C@@]1(C)OC
InChIInChI=1S/C8H14O3/c1-4-11-7(9)6-5-8(6,2)10-3/h6H,4-5H2,1-3H3/t6-,8+/m0/s1
InChIKeyOUDBNXOZQCORHO-POYBYMJQSA-N
MW158.20 g/mol
LogP0.97
Rot. Bonds3

About trans-ethyl (1R,2R)-2-methoxy-2-methylcyclopropane-1-carboxylate

trans-ethyl (1R,2R)-2-methoxy-2-methylcyclopropane-1-carboxylate (PubChem CID 11030087) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is trans-ethyl (1R,2R)-2-methoxy-2-methylcyclopropane-1-carboxylate.

Molecular Properties

Compound Nametrans-ethyl (1R,2R)-2-methoxy-2-methylcyclopropane-1-carboxylate
PubChem CID11030087
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Nametrans-ethyl (1R,2R)-2-methoxy-2-methylcyclopropane-1-carboxylate
SMILESCCOC(=O)[C@@H]1C[C@@]1(C)OC
InChIInChI=1S/C8H14O3/c1-4-11-7(9)6-5-8(6,2)10-3/h6H,4-5H2,1-3H3/t6-,8+/m0/s1
InChIKeyOUDBNXOZQCORHO-POYBYMJQSA-N
XLogP0.97
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of trans-ethyl (1R,2R)-2-methoxy-2-methylcyclopropane-1-carboxylate?
The IUPAC name of trans-ethyl (1R,2R)-2-methoxy-2-methylcyclopropane-1-carboxylate (CID 11030087) is trans-ethyl (1R,2R)-2-methoxy-2-methylcyclopropane-1-carboxylate.
What is the SMILES notation for trans-ethyl (1R,2R)-2-methoxy-2-methylcyclopropane-1-carboxylate?
The canonical SMILES for trans-ethyl (1R,2R)-2-methoxy-2-methylcyclopropane-1-carboxylate is CCOC(=O)[C@@H]1C[C@@]1(C)OC.
What is the InChIKey of trans-ethyl (1R,2R)-2-methoxy-2-methylcyclopropane-1-carboxylate?
The InChIKey is OUDBNXOZQCORHO-POYBYMJQSA-N. The full InChI is InChI=1S/C8H14O3/c1-4-11-7(9)6-5-8(6,2)10-3/h6H,4-5H2,1-3H3/t6-,8+/m0/s1.
What are the key properties of trans-ethyl (1R,2R)-2-methoxy-2-methylcyclopropane-1-carboxylate?
trans-ethyl (1R,2R)-2-methoxy-2-methylcyclopropane-1-carboxylate has a molecular weight of 158.20 g/mol, XLogP of 0.97, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-ethyl (1R,2R)-2-methoxy-2-methylcyclopropane-1-carboxylate is sourced from PubChem (CID 11030087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).