methyl (E)-5-[tert-butyl(dimethyl)silyl]oxypent-3-enoate

C12H24O3Si — CID 10966769

IUPACmethyl (E)-5-[tert-butyl(dimethyl)silyl]oxypent-3-enoate
SMILESCOC(=O)C/C=C/CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H24O3Si/c1-12(2,3)16(5,6)15-10-8-7-9-11(13)14-4/h7-8H,9-10H2,1-6H3/b8-7+
InChIKeyDBUPHQAPPNLSJJ-BQYQJAHWSA-N
MW244.41 g/mol
LogP3.13
Rot. Bonds5

About methyl (E)-5-[tert-butyl(dimethyl)silyl]oxypent-3-enoate

methyl (E)-5-[tert-butyl(dimethyl)silyl]oxypent-3-enoate (PubChem CID 10966769) has the molecular formula C12H24O3Si and a molecular weight of 244.41 g/mol. Its IUPAC name is methyl (E)-5-[tert-butyl(dimethyl)silyl]oxypent-3-enoate.

Molecular Properties

Compound Namemethyl (E)-5-[tert-butyl(dimethyl)silyl]oxypent-3-enoate
PubChem CID10966769
Molecular FormulaC12H24O3Si
Molecular Weight244.41 g/mol
Exact Mass244.15
IUPAC Namemethyl (E)-5-[tert-butyl(dimethyl)silyl]oxypent-3-enoate
SMILESCOC(=O)C/C=C/CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H24O3Si/c1-12(2,3)16(5,6)15-10-8-7-9-11(13)14-4/h7-8H,9-10H2,1-6H3/b8-7+
InChIKeyDBUPHQAPPNLSJJ-BQYQJAHWSA-N
XLogP3.13
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
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': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

ethyl (E)-5-[tert-butyl(dimethyl)silyl]oxypent-2-enoate
CID 5468981
(E)-5-(tert-butyl-dimethyl-silanyloxy)-pent-2-enoic acid methyl ester
CID 11630130
(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
ethyl (E)-2-trimethylsilylpent-3-enoate
CID 13217741
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-2,2-dimethylhex-3-enoate
CID 15921993
[(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]oxypent-3-enoate?
The IUPAC name of methyl (E)-5-[tert-butyl(dimethyl)silyl]oxypent-3-enoate (CID 10966769) is methyl (E)-5-[tert-butyl(dimethyl)silyl]oxypent-3-enoate.
What is the SMILES notation for methyl (E)-5-[tert-butyl(dimethyl)silyl]oxypent-3-enoate?
The canonical SMILES for methyl (E)-5-[tert-butyl(dimethyl)silyl]oxypent-3-enoate is COC(=O)C/C=C/CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of methyl (E)-5-[tert-butyl(dimethyl)silyl]oxypent-3-enoate?
The InChIKey is DBUPHQAPPNLSJJ-BQYQJAHWSA-N. The full InChI is InChI=1S/C12H24O3Si/c1-12(2,3)16(5,6)15-10-8-7-9-11(13)14-4/h7-8H,9-10H2,1-6H3/b8-7+.
What are the key properties of methyl (E)-5-[tert-butyl(dimethyl)silyl]oxypent-3-enoate?
methyl (E)-5-[tert-butyl(dimethyl)silyl]oxypent-3-enoate has a molecular weight of 244.41 g/mol, XLogP of 3.13, 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]oxypent-3-enoate is sourced from PubChem (CID 10966769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).