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

C15H30O3Si — CID 15921993

IUPACmethyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylhex-3-enoate
SMILESCOC(=O)C(C)(C)/C=C/C(C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H30O3Si/c1-12(18-19(8,9)14(2,3)4)10-11-15(5,6)13(16)17-7/h10-12H,1-9H3/b11-10+
InChIKeyAGCSCLYPZCAGJA-ZHACJKMWSA-N
MW286.49 g/mol
LogP4.15
Rot. Bonds5

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

methyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylhex-3-enoate (PubChem CID 15921993) has the molecular formula C15H30O3Si and a molecular weight of 286.49 g/mol. Its IUPAC name is methyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylhex-3-enoate.

Molecular Properties

Compound Namemethyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylhex-3-enoate
PubChem CID15921993
Molecular FormulaC15H30O3Si
Molecular Weight286.49 g/mol
Exact Mass286.20
IUPAC Namemethyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylhex-3-enoate
SMILESCOC(=O)C(C)(C)/C=C/C(C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H30O3Si/c1-12(18-19(8,9)14(2,3)4)10-11-15(5,6)13(16)17-7/h10-12H,1-9H3/b11-10+
InChIKeyAGCSCLYPZCAGJA-ZHACJKMWSA-N
XLogP4.15
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.49
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

(E)-5-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylpent-3-enoic acid
CID 51356794
ethyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-2-fluoropent-3-enoate
CID 101176670
methyl (E)-5-[tert-butyl(dimethyl)silyl]oxypent-3-enoate
CID 10966769
methyl (Z,5R)-5-[tert-butyl(dimethyl)silyl]oxyhex-2-enoate
CID 11097260
methyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylhex-3-enoate
CID 13701602
methyl (E,2R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylhex-3-enoate
CID 13701603
methyl (E,2S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylhex-3-enoate
CID 13701604
Methyl 1-methyl-2-trimethylsilylcyclohexa-2,5-diene-1-carboxylate
CID 15259542
methyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-2-ethyl-2-methylhex-3-enoate
CID 15921984
methyl (2Z,5R)-5-[tert-butyl(dimethyl)silyl]oxyhepta-2,6-dienoate
CID 42599690
[(2E,4R)-4-[tert-butyl(dimethyl)silyl]oxyhexa-2,5-dienyl] acetate
CID 91998780
[(E)-5-trimethylsilylpent-3-enyl] 2,2-dimethylpropanoate
CID 102486407

Frequently Asked Questions

What is the IUPAC name of methyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylhex-3-enoate?
The IUPAC name of methyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylhex-3-enoate (CID 15921993) is methyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylhex-3-enoate.
What is the SMILES notation for methyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylhex-3-enoate?
The canonical SMILES for methyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylhex-3-enoate is COC(=O)C(C)(C)/C=C/C(C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of methyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylhex-3-enoate?
The InChIKey is AGCSCLYPZCAGJA-ZHACJKMWSA-N. The full InChI is InChI=1S/C15H30O3Si/c1-12(18-19(8,9)14(2,3)4)10-11-15(5,6)13(16)17-7/h10-12H,1-9H3/b11-10+.
What are the key properties of methyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylhex-3-enoate?
methyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylhex-3-enoate has a molecular weight of 286.49 g/mol, XLogP of 4.15, 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-2,2-dimethylhex-3-enoate is sourced from PubChem (CID 15921993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).