ethyl 2,3-dimethyl-2-trimethylsilylbut-3-enoate

C11H22O2Si — CID 13217745

IUPACethyl 2,3-dimethyl-2-trimethylsilylbut-3-enoate
SMILESC=C(C)C(C)(C(=O)OCC)[Si](C)(C)C
InChIInChI=1S/C11H22O2Si/c1-8-13-10(12)11(4,9(2)3)14(5,6)7/h2,8H2,1,3-7H3
InChIKeyKWKWPZQRRJMXQF-UHFFFAOYSA-N
MW214.38 g/mol
LogP3.22
Rot. Bonds4

About ethyl 2,3-dimethyl-2-trimethylsilylbut-3-enoate

ethyl 2,3-dimethyl-2-trimethylsilylbut-3-enoate (PubChem CID 13217745) has the molecular formula C11H22O2Si and a molecular weight of 214.38 g/mol. Its IUPAC name is ethyl 2,3-dimethyl-2-trimethylsilylbut-3-enoate.

Molecular Properties

Compound Nameethyl 2,3-dimethyl-2-trimethylsilylbut-3-enoate
PubChem CID13217745
Molecular FormulaC11H22O2Si
Molecular Weight214.38 g/mol
Exact Mass214.14
IUPAC Nameethyl 2,3-dimethyl-2-trimethylsilylbut-3-enoate
SMILESC=C(C)C(C)(C(=O)OCC)[Si](C)(C)C
InChIInChI=1S/C11H22O2Si/c1-8-13-10(12)11(4,9(2)3)14(5,6)7/h2,8H2,1,3-7H3
InChIKeyKWKWPZQRRJMXQF-UHFFFAOYSA-N
XLogP3.22
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.38
LogP ≤ 53.22
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

3-Methyl-3-butenyl butanoate
CID 6429316
Butanoic acid, 3-methyl-, 3-methyl-3-buten-1-yl ester
CID 549297
3-Butenoic acid, 3-methyl-, (3-methyl-3-butenyl) ester
CID 549289
3-Methyl-3-buten-1-yl 2-methylbutanoate
CID 3019775
4-Pentenoic acid, 4-[(trimethylsilyl)methyl]-, ethyl ester
CID 11020263
Ethyl 3-methyl-2-(trimethylsilyl)but-3-enoate
CID 12869999
Ethyl 3-triethylsilylbut-3-enoate
CID 146162379
Ethyl 2-methyl-3-(trimethylsilyl)cycloprop-2-ene-1-carboxylate
CID 11183231
AG-G-75877
CID 11769254
ethyl (1R)-2-methyl-3-trimethylsilylcycloprop-2-ene-1-carboxylate
CID 12169509
2-(2-Acetoxyethyl)-2-propenyltrimethylsilane
CID 12841797
Ethyl 3-trimethylsilylpenta-3,4-dienoate
CID 85804147

Frequently Asked Questions

What is the IUPAC name of ethyl 2,3-dimethyl-2-trimethylsilylbut-3-enoate?
The IUPAC name of ethyl 2,3-dimethyl-2-trimethylsilylbut-3-enoate (CID 13217745) is ethyl 2,3-dimethyl-2-trimethylsilylbut-3-enoate.
What is the SMILES notation for ethyl 2,3-dimethyl-2-trimethylsilylbut-3-enoate?
The canonical SMILES for ethyl 2,3-dimethyl-2-trimethylsilylbut-3-enoate is C=C(C)C(C)(C(=O)OCC)[Si](C)(C)C.
What is the InChIKey of ethyl 2,3-dimethyl-2-trimethylsilylbut-3-enoate?
The InChIKey is KWKWPZQRRJMXQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O2Si/c1-8-13-10(12)11(4,9(2)3)14(5,6)7/h2,8H2,1,3-7H3.
What are the key properties of ethyl 2,3-dimethyl-2-trimethylsilylbut-3-enoate?
ethyl 2,3-dimethyl-2-trimethylsilylbut-3-enoate has a molecular weight of 214.38 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,3-dimethyl-2-trimethylsilylbut-3-enoate is sourced from PubChem (CID 13217745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).