trans-methyl (1S,2S)-2-ethenyl-2-methylcyclopropane-1-carboxylate

C8H12O2 — CID 10909650

IUPACtrans-methyl (1S,2S)-2-ethenyl-2-methylcyclopropane-1-carboxylate
SMILESC=C[C@]1(C)C[C@@H]1C(=O)OC
InChIInChI=1S/C8H12O2/c1-4-8(2)5-6(8)7(9)10-3/h4,6H,1,5H2,2-3H3/t6-,8-/m1/s1
InChIKeyUMUULEHNTFEYIA-HTRCEHHLSA-N
MW140.18 g/mol
LogP1.37
Rot. Bonds2

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

trans-methyl (1S,2S)-2-ethenyl-2-methylcyclopropane-1-carboxylate (PubChem CID 10909650) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is trans-methyl (1S,2S)-2-ethenyl-2-methylcyclopropane-1-carboxylate.

Molecular Properties

Compound Nametrans-methyl (1S,2S)-2-ethenyl-2-methylcyclopropane-1-carboxylate
PubChem CID10909650
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Nametrans-methyl (1S,2S)-2-ethenyl-2-methylcyclopropane-1-carboxylate
SMILESC=C[C@]1(C)C[C@@H]1C(=O)OC
InChIInChI=1S/C8H12O2/c1-4-8(2)5-6(8)7(9)10-3/h4,6H,1,5H2,2-3H3/t6-,8-/m1/s1
InChIKeyUMUULEHNTFEYIA-HTRCEHHLSA-N
XLogP1.37
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

trans-(1R,2R)-2-ethenyl-N-methoxy-N,2-dimethylcyclopropane-1-carboxamide
CID 11298196
dimethyl 1-methylcyclopropane-1,2-dicarboxylate
CID 574541
cis-methyl (1R,2S)-2-(1-fluoroethenyl)-2-methylcyclopropane-1-carboxylate
CID 11435080
trans-methyl (1S,2R)-2-ethyl-2-methylcyclopropane-1-carboxylate
CID 129452445
cis-methyl (1S,2S)-2-ethynyl-2-methylcyclopropane-1-carboxylate
CID 12696061
methyl 1-ethenyl-5-methylsulfonyloxybicyclo[2.2.2]octane-2-carboxylate
CID 117070474
methyl 2,2-dimethyl-3-methylidenecyclopentane-1-carboxylate
CID 71399973
methyl 2-methyl-2-trimethylsilyloxycyclopropane-1-carboxylate
CID 12951415
trans-methyl (1R,3R)-3-formyl-2,2-dimethylcyclobutane-1-carboxylate
CID 130892217
cis-methyl (1S,2S)-2-fluoro-2-(1-methylcyclopropyl)cyclopropane-1-carboxylate
CID 11298222
2-methoxycarbonylspiro[2.2]pentane-5-carboxylic acid
CID 82598117
ethyl 2-ethenyl-2-methylcyclobutane-1-carboxylate
CID 21494881

Frequently Asked Questions

What is the IUPAC name of trans-methyl (1S,2S)-2-ethenyl-2-methylcyclopropane-1-carboxylate?
The IUPAC name of trans-methyl (1S,2S)-2-ethenyl-2-methylcyclopropane-1-carboxylate (CID 10909650) is trans-methyl (1S,2S)-2-ethenyl-2-methylcyclopropane-1-carboxylate.
What is the SMILES notation for trans-methyl (1S,2S)-2-ethenyl-2-methylcyclopropane-1-carboxylate?
The canonical SMILES for trans-methyl (1S,2S)-2-ethenyl-2-methylcyclopropane-1-carboxylate is C=C[C@]1(C)C[C@@H]1C(=O)OC.
What is the InChIKey of trans-methyl (1S,2S)-2-ethenyl-2-methylcyclopropane-1-carboxylate?
The InChIKey is UMUULEHNTFEYIA-HTRCEHHLSA-N. The full InChI is InChI=1S/C8H12O2/c1-4-8(2)5-6(8)7(9)10-3/h4,6H,1,5H2,2-3H3/t6-,8-/m1/s1.
What are the key properties of trans-methyl (1S,2S)-2-ethenyl-2-methylcyclopropane-1-carboxylate?
trans-methyl (1S,2S)-2-ethenyl-2-methylcyclopropane-1-carboxylate has a molecular weight of 140.18 g/mol, XLogP of 1.37, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-methyl (1S,2S)-2-ethenyl-2-methylcyclopropane-1-carboxylate is sourced from PubChem (CID 10909650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).