2-[tert-butyl(dimethyl)silyl]oxyethyl but-3-enoate

C12H24O3Si — CID 139889091

IUPAC2-[tert-butyl(dimethyl)silyl]oxyethyl but-3-enoate
SMILESC=CCC(=O)OCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H24O3Si/c1-7-8-11(13)14-9-10-15-16(5,6)12(2,3)4/h7H,1,8-10H2,2-6H3
InChIKeyPECLVTQATHXOJX-UHFFFAOYSA-N
MW244.41 g/mol
LogP3.13
Rot. Bonds6

About 2-[tert-butyl(dimethyl)silyl]oxyethyl but-3-enoate

2-[tert-butyl(dimethyl)silyl]oxyethyl but-3-enoate (PubChem CID 139889091) has the molecular formula C12H24O3Si and a molecular weight of 244.41 g/mol. Its IUPAC name is 2-[tert-butyl(dimethyl)silyl]oxyethyl but-3-enoate.

Molecular Properties

Compound Name2-[tert-butyl(dimethyl)silyl]oxyethyl but-3-enoate
PubChem CID139889091
Molecular FormulaC12H24O3Si
Molecular Weight244.41 g/mol
Exact Mass244.15
IUPAC Name2-[tert-butyl(dimethyl)silyl]oxyethyl but-3-enoate
SMILESC=CCC(=O)OCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H24O3Si/c1-7-8-11(13)14-9-10-15-16(5,6)12(2,3)4/h7H,1,8-10H2,2-6H3
InChIKeyPECLVTQATHXOJX-UHFFFAOYSA-N
XLogP3.13
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.41
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 2-trimethylsilylbut-3-enoate
CID 13658179
Ethyl 5-trimethylsilylhexa-3,4-dienoate
CID 14691754
[(E)-4-triethylsilylbut-3-enyl] acetate
CID 18469590
[(E)-5-trimethylsilylpent-3-enyl] 2,2-dimethylpropanoate
CID 102486407
Ethyl 2-triethylsilylbut-3-enoate
CID 145865774
ethyl (E)-2,4-bis(trimethylsilyl)but-3-enoate
CID 145865777
ethyl (E)-2-triethylsilyl-4-trimethylsilylbut-3-enoate
CID 145865778
[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-yl] butanoate
CID 154709335

Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl(dimethyl)silyl]oxyethyl but-3-enoate?
The IUPAC name of 2-[tert-butyl(dimethyl)silyl]oxyethyl but-3-enoate (CID 139889091) is 2-[tert-butyl(dimethyl)silyl]oxyethyl but-3-enoate.
What is the SMILES notation for 2-[tert-butyl(dimethyl)silyl]oxyethyl but-3-enoate?
The canonical SMILES for 2-[tert-butyl(dimethyl)silyl]oxyethyl but-3-enoate is C=CCC(=O)OCCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of 2-[tert-butyl(dimethyl)silyl]oxyethyl but-3-enoate?
The InChIKey is PECLVTQATHXOJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O3Si/c1-7-8-11(13)14-9-10-15-16(5,6)12(2,3)4/h7H,1,8-10H2,2-6H3.
What are the key properties of 2-[tert-butyl(dimethyl)silyl]oxyethyl but-3-enoate?
2-[tert-butyl(dimethyl)silyl]oxyethyl but-3-enoate has a molecular weight of 244.41 g/mol, XLogP of 3.13, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl(dimethyl)silyl]oxyethyl but-3-enoate is sourced from PubChem (CID 139889091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).