trans-methyl (1S,2R)-2-ethyl-2-methylcyclopropane-1-carboxylate

C8H14O2 — CID 129452445

IUPACtrans-methyl (1S,2R)-2-ethyl-2-methylcyclopropane-1-carboxylate
SMILESCC[C@]1(C)C[C@@H]1C(=O)OC
InChIInChI=1S/C8H14O2/c1-4-8(2)5-6(8)7(9)10-3/h6H,4-5H2,1-3H3/t6-,8-/m1/s1
InChIKeyXWASCDUCQFDFLA-HTRCEHHLSA-N
MW142.20 g/mol
LogP1.60
Rot. Bonds2

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

trans-methyl (1S,2R)-2-ethyl-2-methylcyclopropane-1-carboxylate (PubChem CID 129452445) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is trans-methyl (1S,2R)-2-ethyl-2-methylcyclopropane-1-carboxylate.

Molecular Properties

Compound Nametrans-methyl (1S,2R)-2-ethyl-2-methylcyclopropane-1-carboxylate
PubChem CID129452445
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Nametrans-methyl (1S,2R)-2-ethyl-2-methylcyclopropane-1-carboxylate
SMILESCC[C@]1(C)C[C@@H]1C(=O)OC
InChIInChI=1S/C8H14O2/c1-4-8(2)5-6(8)7(9)10-3/h6H,4-5H2,1-3H3/t6-,8-/m1/s1
InChIKeyXWASCDUCQFDFLA-HTRCEHHLSA-N
XLogP1.60
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-ethyl-2-methylcyclopropane-1-carboxylic acid
CID 134970541
dimethyl 1-methylcyclopropane-1,2-dicarboxylate
CID 574541
[4-(cyclopropylmethylamino)piperidin-1-yl]-(2-ethyl-2-methylcyclopropyl)methanone
CID 119623579
(4-aminopiperidin-1-yl)-(2-ethyl-2-methylcyclopropyl)methanone
CID 119374903
trans-methyl (1S,2S)-2-ethenyl-2-methylcyclopropane-1-carboxylate
CID 10909650
cis-methyl (1S,2S)-2-ethynyl-2-methylcyclopropane-1-carboxylate
CID 12696061
methyl (3R,4S,6S)-6-butyl-3-methoxy-3,6-dimethyldioxane-4-carboxylate
CID 56925658
cis-methyl (1S,2S)-2-fluoro-2-(1-methylcyclopropyl)cyclopropane-1-carboxylate
CID 11298222
methyl 2-methyl-2-trimethylsilyloxycyclopropane-1-carboxylate
CID 12951415
cis-methyl (1R,2S)-2-(1-fluoroethenyl)-2-methylcyclopropane-1-carboxylate
CID 11435080
N-[1-(aminomethyl)cyclopentyl]-2-ethyl-2-methylcyclopropane-1-carboxamide
CID 119566673
2-methoxycarbonylspiro[2.2]pentane-5-carboxylic acid
CID 82598117

Frequently Asked Questions

What is the IUPAC name of trans-methyl (1S,2R)-2-ethyl-2-methylcyclopropane-1-carboxylate?
The IUPAC name of trans-methyl (1S,2R)-2-ethyl-2-methylcyclopropane-1-carboxylate (CID 129452445) is trans-methyl (1S,2R)-2-ethyl-2-methylcyclopropane-1-carboxylate.
What is the SMILES notation for trans-methyl (1S,2R)-2-ethyl-2-methylcyclopropane-1-carboxylate?
The canonical SMILES for trans-methyl (1S,2R)-2-ethyl-2-methylcyclopropane-1-carboxylate is CC[C@]1(C)C[C@@H]1C(=O)OC.
What is the InChIKey of trans-methyl (1S,2R)-2-ethyl-2-methylcyclopropane-1-carboxylate?
The InChIKey is XWASCDUCQFDFLA-HTRCEHHLSA-N. The full InChI is InChI=1S/C8H14O2/c1-4-8(2)5-6(8)7(9)10-3/h6H,4-5H2,1-3H3/t6-,8-/m1/s1.
What are the key properties of trans-methyl (1S,2R)-2-ethyl-2-methylcyclopropane-1-carboxylate?
trans-methyl (1S,2R)-2-ethyl-2-methylcyclopropane-1-carboxylate has a molecular weight of 142.20 g/mol, XLogP of 1.60, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-methyl (1S,2R)-2-ethyl-2-methylcyclopropane-1-carboxylate is sourced from PubChem (CID 129452445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).