methyl 1-trimethylsilylcycloprop-2-ene-1-carboxylate

C8H14O2Si — CID 86174337

IUPACmethyl 1-trimethylsilylcycloprop-2-ene-1-carboxylate
SMILESCOC(=O)C1([Si](C)(C)C)C=C1
InChIInChI=1S/C8H14O2Si/c1-10-7(9)8(5-6-8)11(2,3)4/h5-6H,1-4H3
InChIKeyVQFXNZWWUZCYJY-UHFFFAOYSA-N
MW170.28 g/mol
LogP1.81
Rot. Bonds2

About methyl 1-trimethylsilylcycloprop-2-ene-1-carboxylate

methyl 1-trimethylsilylcycloprop-2-ene-1-carboxylate (PubChem CID 86174337) has the molecular formula C8H14O2Si and a molecular weight of 170.28 g/mol. Its IUPAC name is methyl 1-trimethylsilylcycloprop-2-ene-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-trimethylsilylcycloprop-2-ene-1-carboxylate
PubChem CID86174337
Molecular FormulaC8H14O2Si
Molecular Weight170.28 g/mol
Exact Mass170.08
IUPAC Namemethyl 1-trimethylsilylcycloprop-2-ene-1-carboxylate
SMILESCOC(=O)C1([Si](C)(C)C)C=C1
InChIInChI=1S/C8H14O2Si/c1-10-7(9)8(5-6-8)11(2,3)4/h5-6H,1-4H3
InChIKeyVQFXNZWWUZCYJY-UHFFFAOYSA-N
XLogP1.81
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.28
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethyl (E)-4-trimethylsilylbut-3-enoate
CID 11769253
Ethyl 1-trimethylsilylcycloprop-2-ene-1-carboxylate
CID 10910226
3-Butenoic acid, tert-butyldimethylsilyl ester
CID 91701215
Ethyl 1,2-bis(trimethylsilyl)cycloprop-2-ene-1-carboxylate
CID 10945060
1,2-Bis(trimethylsilyl)cyclopropene-3-carboxylic acid methyl ester
CID 12474703
Ethyl 2-trimethylsilylbut-3-enoate
CID 13658179
Ethyl 5-trimethylsilylhexa-3,4-dienoate
CID 14691754
3-Carboxy-3-(trimethylsilyl)cyclopropene
CID 129777073
Ethyl 2-triethylsilylbut-3-enoate
CID 145865774
ethyl (2S)-2-methyl-3-trimethylsilylhexa-3,4-dienoate
CID 164686466
ethyl (2S)-2,6-dimethyl-3-trimethylsilylhepta-3,4-dienoate
CID 164686793
ethyl (2R)-2,6-dimethyl-3-trimethylsilylhepta-3,4-dienoate
CID 164687123

Frequently Asked Questions

What is the IUPAC name of methyl 1-trimethylsilylcycloprop-2-ene-1-carboxylate?
The IUPAC name of methyl 1-trimethylsilylcycloprop-2-ene-1-carboxylate (CID 86174337) is methyl 1-trimethylsilylcycloprop-2-ene-1-carboxylate.
What is the SMILES notation for methyl 1-trimethylsilylcycloprop-2-ene-1-carboxylate?
The canonical SMILES for methyl 1-trimethylsilylcycloprop-2-ene-1-carboxylate is COC(=O)C1([Si](C)(C)C)C=C1.
What is the InChIKey of methyl 1-trimethylsilylcycloprop-2-ene-1-carboxylate?
The InChIKey is VQFXNZWWUZCYJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2Si/c1-10-7(9)8(5-6-8)11(2,3)4/h5-6H,1-4H3.
What are the key properties of methyl 1-trimethylsilylcycloprop-2-ene-1-carboxylate?
methyl 1-trimethylsilylcycloprop-2-ene-1-carboxylate has a molecular weight of 170.28 g/mol, XLogP of 1.81, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-trimethylsilylcycloprop-2-ene-1-carboxylate is sourced from PubChem (CID 86174337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).