methyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-3-methylpent-2-enoate

C13H26O3Si — CID 134856558

IUPACmethyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-3-methylpent-2-enoate
SMILESCOC(=O)/C=C(\C)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H26O3Si/c1-11(10-12(14)15-5)8-9-16-17(6,7)13(2,3)4/h10H,8-9H2,1-7H3/b11-10+
InChIKeyXCURRTLFQQFFCW-ZHACJKMWSA-N
MW258.43 g/mol
LogP3.52
Rot. Bonds5

About methyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-3-methylpent-2-enoate

methyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-3-methylpent-2-enoate (PubChem CID 134856558) has the molecular formula C13H26O3Si and a molecular weight of 258.43 g/mol. Its IUPAC name is methyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-3-methylpent-2-enoate.

Molecular Properties

Compound Namemethyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-3-methylpent-2-enoate
PubChem CID134856558
Molecular FormulaC13H26O3Si
Molecular Weight258.43 g/mol
Exact Mass258.17
IUPAC Namemethyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-3-methylpent-2-enoate
SMILESCOC(=O)/C=C(\C)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H26O3Si/c1-11(10-12(14)15-5)8-9-16-17(6,7)13(2,3)4/h10H,8-9H2,1-7H3/b11-10+
InChIKeyXCURRTLFQQFFCW-ZHACJKMWSA-N
XLogP3.52
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.43
LogP ≤ 53.52
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

(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyl-2H-furan-5-one
CID 10538149
ethyl (E)-5-[tert-butyl(dimethyl)silyl]oxypent-2-enoate
CID 5468981
ethyl (E)-2-fluoro-5-(tertbutyldimethylsilyloxy)-2-pentenoate
CID 59912784
methyl (2Z)-7-methyl-3-(trimethylsilylmethyl)octa-2,6-dienoate
CID 11010538
ethyl (2E)-3-trimethylsilylhexa-2,5-dienoate
CID 11845191
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
(3E)-3-(2-trimethylsilylethylidene)oxolan-2-one
CID 16094032
methyl (Z)-4-[tert-butyl(dimethyl)silyl]oxypent-2-enoate
CID 134907379
(3Z)-3-(2-trimethylsilylethylidene)oxolan-2-one
CID 134995349
ethyl (E,5R)-5-[tert-butyl(dimethyl)silyl]oxyhex-2-enoate
CID 10084653
(E)-ethyl 6-(tert-butyldimethylsilyloxy)hex-2-enoate
CID 10826090

Frequently Asked Questions

What is the IUPAC name of methyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-3-methylpent-2-enoate?
The IUPAC name of methyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-3-methylpent-2-enoate (CID 134856558) is methyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-3-methylpent-2-enoate.
What is the SMILES notation for methyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-3-methylpent-2-enoate?
The canonical SMILES for methyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-3-methylpent-2-enoate is COC(=O)/C=C(\C)CCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of methyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-3-methylpent-2-enoate?
The InChIKey is XCURRTLFQQFFCW-ZHACJKMWSA-N. The full InChI is InChI=1S/C13H26O3Si/c1-11(10-12(14)15-5)8-9-16-17(6,7)13(2,3)4/h10H,8-9H2,1-7H3/b11-10+.
What are the key properties of methyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-3-methylpent-2-enoate?
methyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-3-methylpent-2-enoate has a molecular weight of 258.43 g/mol, XLogP of 3.52, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-3-methylpent-2-enoate is sourced from PubChem (CID 134856558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).