2-trimethylsilylpropan-2-yl but-3-enoate

C10H20O2Si — CID 22971902

IUPAC2-trimethylsilylpropan-2-yl but-3-enoate
SMILESC=CCC(=O)OC(C)(C)[Si](C)(C)C
InChIInChI=1S/C10H20O2Si/c1-7-8-9(11)12-10(2,3)13(4,5)6/h7H,1,8H2,2-6H3
InChIKeyHSSBSIKQKIEHMA-UHFFFAOYSA-N
MW200.35 g/mol
LogP2.76
Rot. Bonds4

About 2-trimethylsilylpropan-2-yl but-3-enoate

2-trimethylsilylpropan-2-yl but-3-enoate (PubChem CID 22971902) has the molecular formula C10H20O2Si and a molecular weight of 200.35 g/mol. Its IUPAC name is 2-trimethylsilylpropan-2-yl but-3-enoate.

Molecular Properties

Compound Name2-trimethylsilylpropan-2-yl but-3-enoate
PubChem CID22971902
Molecular FormulaC10H20O2Si
Molecular Weight200.35 g/mol
Exact Mass200.12
IUPAC Name2-trimethylsilylpropan-2-yl but-3-enoate
SMILESC=CCC(=O)OC(C)(C)[Si](C)(C)C
InChIInChI=1S/C10H20O2Si/c1-7-8-9(11)12-10(2,3)13(4,5)6/h7H,1,8H2,2-6H3
InChIKeyHSSBSIKQKIEHMA-UHFFFAOYSA-N
XLogP2.76
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 ≤ 52.76
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 3-triethylsilylbut-3-enoate
CID 146162379
Ethyl 1-trimethylsilylcycloprop-2-ene-1-carboxylate
CID 10910226
3-Butenoic acid, tert-butyldimethylsilyl ester
CID 91701215
ethyl (E)-2-trimethylsilylpent-3-enoate
CID 13217741
Ethyl 2-trimethylsilylbut-3-enoate
CID 13658179
Ethyl 5-trimethylsilylhexa-3,4-dienoate
CID 14691754
[(E)-4-triethylsilylbut-3-enyl] acetate
CID 18469590
Ethyl 3-trimethylsilylpenta-3,4-dienoate
CID 85804147
Ethyl 2-triethylsilylbut-3-enoate
CID 145865774
ethyl (E)-2-triethylsilylpent-3-enoate
CID 145865775
ethyl (E)-2,4-bis(trimethylsilyl)but-3-enoate
CID 145865777

Frequently Asked Questions

What is the IUPAC name of 2-trimethylsilylpropan-2-yl but-3-enoate?
The IUPAC name of 2-trimethylsilylpropan-2-yl but-3-enoate (CID 22971902) is 2-trimethylsilylpropan-2-yl but-3-enoate.
What is the SMILES notation for 2-trimethylsilylpropan-2-yl but-3-enoate?
The canonical SMILES for 2-trimethylsilylpropan-2-yl but-3-enoate is C=CCC(=O)OC(C)(C)[Si](C)(C)C.
What is the InChIKey of 2-trimethylsilylpropan-2-yl but-3-enoate?
The InChIKey is HSSBSIKQKIEHMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2Si/c1-7-8-9(11)12-10(2,3)13(4,5)6/h7H,1,8H2,2-6H3.
What are the key properties of 2-trimethylsilylpropan-2-yl but-3-enoate?
2-trimethylsilylpropan-2-yl but-3-enoate has a molecular weight of 200.35 g/mol, XLogP of 2.76, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-trimethylsilylpropan-2-yl but-3-enoate is sourced from PubChem (CID 22971902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).