4-[tert-butyl(dimethyl)silyl]oxybutyl but-3-enoate

C14H28O3Si — CID 139889079

IUPAC4-[tert-butyl(dimethyl)silyl]oxybutyl but-3-enoate
SMILESC=CCC(=O)OCCCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H28O3Si/c1-7-10-13(15)16-11-8-9-12-17-18(5,6)14(2,3)4/h7H,1,8-12H2,2-6H3
InChIKeyMXDUBUQLBVETJP-UHFFFAOYSA-N
MW272.46 g/mol
LogP3.91
Rot. Bonds8

About 4-[tert-butyl(dimethyl)silyl]oxybutyl but-3-enoate

4-[tert-butyl(dimethyl)silyl]oxybutyl but-3-enoate (PubChem CID 139889079) has the molecular formula C14H28O3Si and a molecular weight of 272.46 g/mol. Its IUPAC name is 4-[tert-butyl(dimethyl)silyl]oxybutyl but-3-enoate.

Molecular Properties

Compound Name4-[tert-butyl(dimethyl)silyl]oxybutyl but-3-enoate
PubChem CID139889079
Molecular FormulaC14H28O3Si
Molecular Weight272.46 g/mol
Exact Mass272.18
IUPAC Name4-[tert-butyl(dimethyl)silyl]oxybutyl but-3-enoate
SMILESC=CCC(=O)OCCCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H28O3Si/c1-7-10-13(15)16-11-8-9-12-17-18(5,6)14(2,3)4/h7H,1,8-12H2,2-6H3
InChIKeyMXDUBUQLBVETJP-UHFFFAOYSA-N
XLogP3.91
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.46
LogP ≤ 53.91
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-methyl-2-(trimethylsilyl)but-3-enoate
CID 12869999
Ethyl 3-triethylsilylbut-3-enoate
CID 146162379
Ethyl 1-trimethylsilylcycloprop-2-ene-1-carboxylate
CID 10910226
3-Butenoic acid, tert-butyldimethylsilyl ester
CID 91701215
2-(2-Acetoxyethyl)-2-propenyltrimethylsilane
CID 12841797
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
[(E)-6-[tert-butyl(dimethyl)silyl]oxyhex-5-enyl] acetate
CID 134944492
ethyl (Z)-5-[dimethoxy(methyl)silyl]-2-methylpent-4-enoate
CID 135075742

Frequently Asked Questions

What is the IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxybutyl but-3-enoate?
The IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxybutyl but-3-enoate (CID 139889079) is 4-[tert-butyl(dimethyl)silyl]oxybutyl but-3-enoate.
What is the SMILES notation for 4-[tert-butyl(dimethyl)silyl]oxybutyl but-3-enoate?
The canonical SMILES for 4-[tert-butyl(dimethyl)silyl]oxybutyl but-3-enoate is C=CCC(=O)OCCCCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of 4-[tert-butyl(dimethyl)silyl]oxybutyl but-3-enoate?
The InChIKey is MXDUBUQLBVETJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O3Si/c1-7-10-13(15)16-11-8-9-12-17-18(5,6)14(2,3)4/h7H,1,8-12H2,2-6H3.
What are the key properties of 4-[tert-butyl(dimethyl)silyl]oxybutyl but-3-enoate?
4-[tert-butyl(dimethyl)silyl]oxybutyl but-3-enoate has a molecular weight of 272.46 g/mol, XLogP of 3.91, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[tert-butyl(dimethyl)silyl]oxybutyl but-3-enoate is sourced from PubChem (CID 139889079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).