cis-tert-butyl (1R,2R)-2-[(E)-2-trimethylsilylethenyl]cyclopropane-1-carboxylate

C13H24O2Si — CID 44596722

IUPACcis-tert-butyl (1R,2R)-2-[(E)-2-trimethylsilylethenyl]cyclopropane-1-carboxylate
SMILESCC(C)(C)OC(=O)[C@@H]1C[C@H]1/C=C/[Si](C)(C)C
InChIInChI=1S/C13H24O2Si/c1-13(2,3)15-12(14)11-9-10(11)7-8-16(4,5)6/h7-8,10-11H,9H2,1-6H3/b8-7+/t10-,11-/m1/s1
InChIKeyORSOJTUSISARCY-QSNNZYTBSA-N
MW240.42 g/mol
LogP3.40
Rot. Bonds3

About cis-tert-butyl (1R,2R)-2-[(E)-2-trimethylsilylethenyl]cyclopropane-1-carboxylate

cis-tert-butyl (1R,2R)-2-[(E)-2-trimethylsilylethenyl]cyclopropane-1-carboxylate (PubChem CID 44596722) has the molecular formula C13H24O2Si and a molecular weight of 240.42 g/mol. Its IUPAC name is cis-tert-butyl (1R,2R)-2-[(E)-2-trimethylsilylethenyl]cyclopropane-1-carboxylate.

Molecular Properties

Compound Namecis-tert-butyl (1R,2R)-2-[(E)-2-trimethylsilylethenyl]cyclopropane-1-carboxylate
PubChem CID44596722
Molecular FormulaC13H24O2Si
Molecular Weight240.42 g/mol
Exact Mass240.15
IUPAC Namecis-tert-butyl (1R,2R)-2-[(E)-2-trimethylsilylethenyl]cyclopropane-1-carboxylate
SMILESCC(C)(C)OC(=O)[C@@H]1C[C@H]1/C=C/[Si](C)(C)C
InChIInChI=1S/C13H24O2Si/c1-13(2,3)15-12(14)11-9-10(11)7-8-16(4,5)6/h7-8,10-11H,9H2,1-6H3/b8-7+/t10-,11-/m1/s1
InChIKeyORSOJTUSISARCY-QSNNZYTBSA-N
XLogP3.40
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.42
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tert-Butyl 2-ethenylcyclopropane-1-carboxylate
CID 14140138
methyl (1R,2S,3R)-2-methyl-3-[(E)-2-trimethylsilylethenyl]cyclopropane-1-carboxylate
CID 11009266
cis-methyl (1R,2R)-2-[(E)-2-trimethylsilylethenyl]cyclopropane-1-carboxylate
CID 101400162
trans-tert-butyl (1R,2R)-2-ethenylcyclopropane-1-carboxylate
CID 129405737
cis-tert-butyl (1S,2R)-2-ethenylcyclopropane-1-carboxylate
CID 129405738
cis-tert-butyl (1R,2S)-2-ethenylcyclopropane-1-carboxylate
CID 129405739
trans-tert-butyl (1S,2S)-2-ethenylcyclopropane-1-carboxylate
CID 129405740
cis-methyl (1R,2S)-2-methyl-3-(2-trimethylsilylethenyl)cyclopropane-1-carboxylate
CID 135036885
Methyl 2-ethenyl-1-trimethylsilylcyclopropane-1-carboxylate
CID 10856457
methyl (1S,2R,3S)-2-methyl-3-[(E)-2-trimethylsilylethenyl]cyclopropane-1-carboxylate
CID 101998520
Ethyl 2-(1-trimethylsilylethenyl)cyclopropane-1-carboxylate
CID 102123937
ethyl 2-[(E)-2-trimethylsilylethenyl]cyclopropane-1-carboxylate
CID 139751117

Frequently Asked Questions

What is the IUPAC name of cis-tert-butyl (1R,2R)-2-[(E)-2-trimethylsilylethenyl]cyclopropane-1-carboxylate?
The IUPAC name of cis-tert-butyl (1R,2R)-2-[(E)-2-trimethylsilylethenyl]cyclopropane-1-carboxylate (CID 44596722) is cis-tert-butyl (1R,2R)-2-[(E)-2-trimethylsilylethenyl]cyclopropane-1-carboxylate.
What is the SMILES notation for cis-tert-butyl (1R,2R)-2-[(E)-2-trimethylsilylethenyl]cyclopropane-1-carboxylate?
The canonical SMILES for cis-tert-butyl (1R,2R)-2-[(E)-2-trimethylsilylethenyl]cyclopropane-1-carboxylate is CC(C)(C)OC(=O)[C@@H]1C[C@H]1/C=C/[Si](C)(C)C.
What is the InChIKey of cis-tert-butyl (1R,2R)-2-[(E)-2-trimethylsilylethenyl]cyclopropane-1-carboxylate?
The InChIKey is ORSOJTUSISARCY-QSNNZYTBSA-N. The full InChI is InChI=1S/C13H24O2Si/c1-13(2,3)15-12(14)11-9-10(11)7-8-16(4,5)6/h7-8,10-11H,9H2,1-6H3/b8-7+/t10-,11-/m1/s1.
What are the key properties of cis-tert-butyl (1R,2R)-2-[(E)-2-trimethylsilylethenyl]cyclopropane-1-carboxylate?
cis-tert-butyl (1R,2R)-2-[(E)-2-trimethylsilylethenyl]cyclopropane-1-carboxylate has a molecular weight of 240.42 g/mol, XLogP of 3.40, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-tert-butyl (1R,2R)-2-[(E)-2-trimethylsilylethenyl]cyclopropane-1-carboxylate is sourced from PubChem (CID 44596722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).