ethyl 1,2-bis(trimethylsilyl)cycloprop-2-ene-1-carboxylate

C12H24O2Si2 — CID 10945060

IUPACethyl 1,2-bis(trimethylsilyl)cycloprop-2-ene-1-carboxylate
SMILESCCOC(=O)C1([Si](C)(C)C)C=C1[Si](C)(C)C
InChIInChI=1S/C12H24O2Si2/c1-8-14-11(13)12(16(5,6)7)9-10(12)15(2,3)4/h9H,8H2,1-7H3
InChIKeyYOKKPUMWWQZPHP-UHFFFAOYSA-N
MW256.49 g/mol
LogP3.45
Rot. Bonds4

About ethyl 1,2-bis(trimethylsilyl)cycloprop-2-ene-1-carboxylate

ethyl 1,2-bis(trimethylsilyl)cycloprop-2-ene-1-carboxylate (PubChem CID 10945060) has the molecular formula C12H24O2Si2 and a molecular weight of 256.49 g/mol. Its IUPAC name is ethyl 1,2-bis(trimethylsilyl)cycloprop-2-ene-1-carboxylate.

Molecular Properties

Compound Nameethyl 1,2-bis(trimethylsilyl)cycloprop-2-ene-1-carboxylate
PubChem CID10945060
Molecular FormulaC12H24O2Si2
Molecular Weight256.49 g/mol
Exact Mass256.13
IUPAC Nameethyl 1,2-bis(trimethylsilyl)cycloprop-2-ene-1-carboxylate
SMILESCCOC(=O)C1([Si](C)(C)C)C=C1[Si](C)(C)C
InChIInChI=1S/C12H24O2Si2/c1-8-14-11(13)12(16(5,6)7)9-10(12)15(2,3)4/h9H,8H2,1-7H3
InChIKeyYOKKPUMWWQZPHP-UHFFFAOYSA-N
XLogP3.45
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.49
LogP ≤ 53.45
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

ethyl (E)-4-trimethylsilylbut-3-enoate
CID 11769253
Ethyl 3-triethylsilylbut-3-enoate
CID 146162379
Ethyl 1-trimethylsilylcycloprop-2-ene-1-carboxylate
CID 10910226
Ethyl 4-oxo-2,3-bis(trimethylsilyl)but-3-enoate
CID 14979602
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
Methyl 4-oxo-2,3-bis(trimethylsilyl)but-3-enoate
CID 14979604
Propan-2-yl 4-oxo-2,3-bis(trimethylsilyl)but-3-enoate
CID 14979605
[(E)-4-triethylsilylbut-3-enyl] acetate
CID 18469590
Ethyl 3-trimethylsilylpenta-3,4-dienoate
CID 85804147
Methyl 1-trimethylsilylcycloprop-2-ene-1-carboxylate
CID 86174337

Frequently Asked Questions

What is the IUPAC name of ethyl 1,2-bis(trimethylsilyl)cycloprop-2-ene-1-carboxylate?
The IUPAC name of ethyl 1,2-bis(trimethylsilyl)cycloprop-2-ene-1-carboxylate (CID 10945060) is ethyl 1,2-bis(trimethylsilyl)cycloprop-2-ene-1-carboxylate.
What is the SMILES notation for ethyl 1,2-bis(trimethylsilyl)cycloprop-2-ene-1-carboxylate?
The canonical SMILES for ethyl 1,2-bis(trimethylsilyl)cycloprop-2-ene-1-carboxylate is CCOC(=O)C1([Si](C)(C)C)C=C1[Si](C)(C)C.
What is the InChIKey of ethyl 1,2-bis(trimethylsilyl)cycloprop-2-ene-1-carboxylate?
The InChIKey is YOKKPUMWWQZPHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O2Si2/c1-8-14-11(13)12(16(5,6)7)9-10(12)15(2,3)4/h9H,8H2,1-7H3.
What are the key properties of ethyl 1,2-bis(trimethylsilyl)cycloprop-2-ene-1-carboxylate?
ethyl 1,2-bis(trimethylsilyl)cycloprop-2-ene-1-carboxylate has a molecular weight of 256.49 g/mol, XLogP of 3.45, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1,2-bis(trimethylsilyl)cycloprop-2-ene-1-carboxylate is sourced from PubChem (CID 10945060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).