ethyl 2-(1-trimethylsilylethenyl)cyclopropane-1-carboxylate

C11H20O2Si — CID 102123937

IUPACethyl 2-(1-trimethylsilylethenyl)cyclopropane-1-carboxylate
SMILESC=C(C1CC1C(=O)OCC)[Si](C)(C)C
InChIInChI=1S/C11H20O2Si/c1-6-13-11(12)10-7-9(10)8(2)14(3,4)5/h9-10H,2,6-7H2,1,3-5H3
InChIKeyTVUIWFDMMYFKHN-UHFFFAOYSA-N
MW212.36 g/mol
LogP2.62
Rot. Bonds4

About ethyl 2-(1-trimethylsilylethenyl)cyclopropane-1-carboxylate

ethyl 2-(1-trimethylsilylethenyl)cyclopropane-1-carboxylate (PubChem CID 102123937) has the molecular formula C11H20O2Si and a molecular weight of 212.36 g/mol. Its IUPAC name is ethyl 2-(1-trimethylsilylethenyl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-(1-trimethylsilylethenyl)cyclopropane-1-carboxylate
PubChem CID102123937
Molecular FormulaC11H20O2Si
Molecular Weight212.36 g/mol
Exact Mass212.12
IUPAC Nameethyl 2-(1-trimethylsilylethenyl)cyclopropane-1-carboxylate
SMILESC=C(C1CC1C(=O)OCC)[Si](C)(C)C
InChIInChI=1S/C11H20O2Si/c1-6-13-11(12)10-7-9(10)8(2)14(3,4)5/h9-10H,2,6-7H2,1,3-5H3
InChIKeyTVUIWFDMMYFKHN-UHFFFAOYSA-N
XLogP2.62
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.36
LogP ≤ 52.62
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

4-Pentenoic acid, 4-[(trimethylsilyl)methyl]-, ethyl ester
CID 11020263
methyl (1R,2S,3R)-2-methyl-3-[(E)-2-trimethylsilylethenyl]cyclopropane-1-carboxylate
CID 11009266
Propyl 2-(trimethylsilylmethyl)cyclo-propanecarboxylate
CID 13658051
cis-methyl (1R,2R)-2-[(E)-2-trimethylsilylethenyl]cyclopropane-1-carboxylate
CID 101400162
cis-methyl (1R,2S)-2-methyl-3-(2-trimethylsilylethenyl)cyclopropane-1-carboxylate
CID 135036885
4-Pentenecarboxylic acid, 2-methyl-3-methylene-4-trimethylsilyl-, methyl ester
CID 553446
Methyl 2-ethenyl-1-trimethylsilylcyclopropane-1-carboxylate
CID 10856457
cis-tert-butyl (1R,2R)-2-[(E)-2-trimethylsilylethenyl]cyclopropane-1-carboxylate
CID 44596722
methyl (1S,2R,3S)-2-methyl-3-[(E)-2-trimethylsilylethenyl]cyclopropane-1-carboxylate
CID 101998520
Butyl 2-ethenylcyclopropane-1-carboxylate
CID 70573864
3-Trimethylsilylpropyl 3,3,4-trimethylpent-4-enoate
CID 91593558
Ethyl 2-methyl-3-trimethylsilylcyclopropane-1-carboxylate
CID 123157993

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(1-trimethylsilylethenyl)cyclopropane-1-carboxylate?
The IUPAC name of ethyl 2-(1-trimethylsilylethenyl)cyclopropane-1-carboxylate (CID 102123937) is ethyl 2-(1-trimethylsilylethenyl)cyclopropane-1-carboxylate.
What is the SMILES notation for ethyl 2-(1-trimethylsilylethenyl)cyclopropane-1-carboxylate?
The canonical SMILES for ethyl 2-(1-trimethylsilylethenyl)cyclopropane-1-carboxylate is C=C(C1CC1C(=O)OCC)[Si](C)(C)C.
What is the InChIKey of ethyl 2-(1-trimethylsilylethenyl)cyclopropane-1-carboxylate?
The InChIKey is TVUIWFDMMYFKHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2Si/c1-6-13-11(12)10-7-9(10)8(2)14(3,4)5/h9-10H,2,6-7H2,1,3-5H3.
What are the key properties of ethyl 2-(1-trimethylsilylethenyl)cyclopropane-1-carboxylate?
ethyl 2-(1-trimethylsilylethenyl)cyclopropane-1-carboxylate has a molecular weight of 212.36 g/mol, XLogP of 2.62, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(1-trimethylsilylethenyl)cyclopropane-1-carboxylate is sourced from PubChem (CID 102123937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).