(E)-8-[tert-butyl(dimethyl)silyl]oxy-4-methyloct-3-en-2-one

C15H30O2Si — CID 11380225

IUPAC(E)-8-[tert-butyl(dimethyl)silyl]oxy-4-methyloct-3-en-2-one
SMILESCC(=O)/C=C(\C)CCCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H30O2Si/c1-13(12-14(2)16)10-8-9-11-17-18(6,7)15(3,4)5/h12H,8-11H2,1-7H3/b13-12+
InChIKeyOWQDCDSPTAMUGN-OUKQBFOZSA-N
MW270.49 g/mol
LogP4.71
Rot. Bonds7

About (E)-8-[tert-butyl(dimethyl)silyl]oxy-4-methyloct-3-en-2-one

(E)-8-[tert-butyl(dimethyl)silyl]oxy-4-methyloct-3-en-2-one (PubChem CID 11380225) has the molecular formula C15H30O2Si and a molecular weight of 270.49 g/mol. Its IUPAC name is (E)-8-[tert-butyl(dimethyl)silyl]oxy-4-methyloct-3-en-2-one.

Molecular Properties

Compound Name(E)-8-[tert-butyl(dimethyl)silyl]oxy-4-methyloct-3-en-2-one
PubChem CID11380225
Molecular FormulaC15H30O2Si
Molecular Weight270.49 g/mol
Exact Mass270.20
IUPAC Name(E)-8-[tert-butyl(dimethyl)silyl]oxy-4-methyloct-3-en-2-one
SMILESCC(=O)/C=C(\C)CCCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H30O2Si/c1-13(12-14(2)16)10-8-9-11-17-18(6,7)15(3,4)5/h12H,8-11H2,1-7H3/b13-12+
InChIKeyOWQDCDSPTAMUGN-OUKQBFOZSA-N
XLogP4.71
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.49
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-3-methyl-6-triethylsilyloxyhex-2-enal
CID 101521914
(E)-12-[tert-butyl(dimethyl)silyl]oxydodec-3-en-2-one
CID 101860242
2-(((Tert-butyldimethylsilyl)oxy)methyl)-2-cyclopentenone
CID 13161571
3-[[(Tert-butyldimethylsilyl)oxy]methyl]-2-cyclopentenone
CID 15649271
3-[2-[Tert-butyl(dimethyl)silyl]oxyethyl]cyclopent-2-en-1-one
CID 15649272
(E)-6-[tert-butyl(dimethyl)silyl]oxy-3-methylhex-2-enal
CID 11287978
(E)-8-[tert-butyl(dimethyl)silyl]oxyoct-3-en-2-one
CID 12021523
(Z)-6-[tert-butyl(dimethyl)silyl]oxy-3-methylhex-2-enal
CID 42611333
(E)-8-[tert-butyl(dimethyl)silyl]oxy-4-ethyloct-3-en-2-one
CID 101265045
(Z)-8-[tert-butyl(dimethyl)silyl]oxyoct-3-en-2-one
CID 134982277
(E)-13-[tert-butyl(dimethyl)silyl]oxytridec-3-en-2-one
CID 53344197
2,3,5-trimethyl-6-[(E)-3-methyl-7-tri(propan-2-yl)silyloxyhept-2-enyl]cyclohexa-2,5-diene-1,4-dione
CID 102095731

Frequently Asked Questions

What is the IUPAC name of (E)-8-[tert-butyl(dimethyl)silyl]oxy-4-methyloct-3-en-2-one?
The IUPAC name of (E)-8-[tert-butyl(dimethyl)silyl]oxy-4-methyloct-3-en-2-one (CID 11380225) is (E)-8-[tert-butyl(dimethyl)silyl]oxy-4-methyloct-3-en-2-one.
What is the SMILES notation for (E)-8-[tert-butyl(dimethyl)silyl]oxy-4-methyloct-3-en-2-one?
The canonical SMILES for (E)-8-[tert-butyl(dimethyl)silyl]oxy-4-methyloct-3-en-2-one is CC(=O)/C=C(\C)CCCCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (E)-8-[tert-butyl(dimethyl)silyl]oxy-4-methyloct-3-en-2-one?
The InChIKey is OWQDCDSPTAMUGN-OUKQBFOZSA-N. The full InChI is InChI=1S/C15H30O2Si/c1-13(12-14(2)16)10-8-9-11-17-18(6,7)15(3,4)5/h12H,8-11H2,1-7H3/b13-12+.
What are the key properties of (E)-8-[tert-butyl(dimethyl)silyl]oxy-4-methyloct-3-en-2-one?
(E)-8-[tert-butyl(dimethyl)silyl]oxy-4-methyloct-3-en-2-one has a molecular weight of 270.49 g/mol, XLogP of 4.71, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-8-[tert-butyl(dimethyl)silyl]oxy-4-methyloct-3-en-2-one is sourced from PubChem (CID 11380225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).