methyl (E)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enoate

C11H22O3Si — CID 20767020

IUPACmethyl (E)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enoate
SMILESCOC(=O)/C=C/CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C11H22O3Si/c1-11(2,3)15(5,6)14-9-7-8-10(12)13-4/h7-8H,9H2,1-6H3/b8-7+
InChIKeyPXJANCQOBYCDJC-BQYQJAHWSA-N
MW230.38 g/mol
LogP2.74
Rot. Bonds4

About methyl (E)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enoate

methyl (E)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enoate (PubChem CID 20767020) has the molecular formula C11H22O3Si and a molecular weight of 230.38 g/mol. Its IUPAC name is methyl (E)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enoate.

Molecular Properties

Compound Namemethyl (E)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enoate
PubChem CID20767020
Molecular FormulaC11H22O3Si
Molecular Weight230.38 g/mol
Exact Mass230.13
IUPAC Namemethyl (E)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enoate
SMILESCOC(=O)/C=C/CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C11H22O3Si/c1-11(2,3)15(5,6)14-9-7-8-10(12)13-4/h7-8H,9H2,1-6H3/b8-7+
InChIKeyPXJANCQOBYCDJC-BQYQJAHWSA-N
XLogP2.74
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.38
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

2,4-Hexadienoic acid, 3-(trimethoxysilyl)propyl ester, (2E,4E)-
CID 58361202
2,4-Hexadienoic acid, 3-(trimethoxysilyl)propyl ester
CID 76734167
3-(Methoxydimethylsilyl)propyl Acrylate
CID 9813088
ethyl (E)-5-[tert-butyl(dimethyl)silyl]oxypent-2-enoate
CID 5468981
ethyl (E)-4-trimethylsilylbut-2-enoate
CID 13185411
methyl (E)-4-[tert-butyl(dimethyl)silyl]oxypent-2-enoate
CID 13838010
methyl (E,4S)-4-[tert-butyl(dimethyl)silyl]oxypent-2-enoate
CID 13838011
methyl (2E,4E)-5-trimethylsilylpenta-2,4-dienoate
CID 14175468
ethyl (E)-3-methyl-4-trimethylsilylbut-2-enoate
CID 14449541
methyl (Z)-4-[tert-butyl(dimethyl)silyl]oxypent-2-enoate
CID 134907379
(E)-4-[[(1,1-Dimethylethyl)dimethylsilyl]oxy]-2-butenoic Acid Ethyl Ester
CID 10490523
(E)-ethyl 6-(tert-butyldimethylsilyloxy)hex-2-enoate
CID 10826090

Frequently Asked Questions

What is the IUPAC name of methyl (E)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enoate?
The IUPAC name of methyl (E)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enoate (CID 20767020) is methyl (E)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enoate.
What is the SMILES notation for methyl (E)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enoate?
The canonical SMILES for methyl (E)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enoate is COC(=O)/C=C/CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of methyl (E)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enoate?
The InChIKey is PXJANCQOBYCDJC-BQYQJAHWSA-N. The full InChI is InChI=1S/C11H22O3Si/c1-11(2,3)15(5,6)14-9-7-8-10(12)13-4/h7-8H,9H2,1-6H3/b8-7+.
What are the key properties of methyl (E)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enoate?
methyl (E)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enoate has a molecular weight of 230.38 g/mol, XLogP of 2.74, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enoate is sourced from PubChem (CID 20767020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).