ethyl (Z)-2-(trimethylsilylmethyl)but-2-enoate

C10H20O2Si — CID 11401400

IUPACethyl (Z)-2-(trimethylsilylmethyl)but-2-enoate
SMILESC/C=C(\C[Si](C)(C)C)C(=O)OCC
InChIInChI=1S/C10H20O2Si/c1-6-9(8-13(3,4)5)10(11)12-7-2/h6H,7-8H2,1-5H3/b9-6+
InChIKeyAMUWMDXQSBJJLQ-RMKNXTFCSA-N
MW200.35 g/mol
LogP2.83
Rot. Bonds4

About ethyl (Z)-2-(trimethylsilylmethyl)but-2-enoate

ethyl (Z)-2-(trimethylsilylmethyl)but-2-enoate (PubChem CID 11401400) has the molecular formula C10H20O2Si and a molecular weight of 200.35 g/mol. Its IUPAC name is ethyl (Z)-2-(trimethylsilylmethyl)but-2-enoate.

Molecular Properties

Compound Nameethyl (Z)-2-(trimethylsilylmethyl)but-2-enoate
PubChem CID11401400
Molecular FormulaC10H20O2Si
Molecular Weight200.35 g/mol
Exact Mass200.12
IUPAC Nameethyl (Z)-2-(trimethylsilylmethyl)but-2-enoate
SMILESC/C=C(\C[Si](C)(C)C)C(=O)OCC
InChIInChI=1S/C10H20O2Si/c1-6-9(8-13(3,4)5)10(11)12-7-2/h6H,7-8H2,1-5H3/b9-6+
InChIKeyAMUWMDXQSBJJLQ-RMKNXTFCSA-N
XLogP2.83
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.35
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-(Trimethoxysilyl)propyl methacrylate
CID 17318
Isobutyl angelate
CID 5367807
3-(Triethoxysilyl)propyl methacrylate
CID 88798
Butyl (2E)-2-methylbut-2-enoate
CID 5352450
2-Butenoic acid, 2-methyl-, 2-methylpropyl ester, (2E)-
CID 5367806
2-Methylallyl 2-methylisocrotonate
CID 6437425
2-Butenoic acid, 2-methyl-, propyl ester, (Z)-
CID 6437044
2-Butenoic acid, 2-methyl-, 2-methyl-2-propen-1-yl ester, (2E)-
CID 6437426
Tiglyl tiglate
CID 5281188
Propyl tiglate
CID 5367762
3-(Dimethoxymethylsilyl)propyl methacrylate
CID 84485
Ethyl 2-(trimethylsilylmethyl)acrylate
CID 4111363

Frequently Asked Questions

What is the IUPAC name of ethyl (Z)-2-(trimethylsilylmethyl)but-2-enoate?
The IUPAC name of ethyl (Z)-2-(trimethylsilylmethyl)but-2-enoate (CID 11401400) is ethyl (Z)-2-(trimethylsilylmethyl)but-2-enoate.
What is the SMILES notation for ethyl (Z)-2-(trimethylsilylmethyl)but-2-enoate?
The canonical SMILES for ethyl (Z)-2-(trimethylsilylmethyl)but-2-enoate is C/C=C(\C[Si](C)(C)C)C(=O)OCC.
What is the InChIKey of ethyl (Z)-2-(trimethylsilylmethyl)but-2-enoate?
The InChIKey is AMUWMDXQSBJJLQ-RMKNXTFCSA-N. The full InChI is InChI=1S/C10H20O2Si/c1-6-9(8-13(3,4)5)10(11)12-7-2/h6H,7-8H2,1-5H3/b9-6+.
What are the key properties of ethyl (Z)-2-(trimethylsilylmethyl)but-2-enoate?
ethyl (Z)-2-(trimethylsilylmethyl)but-2-enoate has a molecular weight of 200.35 g/mol, XLogP of 2.83, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (Z)-2-(trimethylsilylmethyl)but-2-enoate is sourced from PubChem (CID 11401400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).