(E)-2-[tert-butyl(dimethyl)silyl]oxytetradec-3-en-5-one

C20H40O2Si — CID 102002602

IUPAC(E)-2-[tert-butyl(dimethyl)silyl]oxytetradec-3-en-5-one
SMILESCCCCCCCCCC(=O)/C=C/C(C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H40O2Si/c1-8-9-10-11-12-13-14-15-19(21)17-16-18(2)22-23(6,7)20(3,4)5/h16-18H,8-15H2,1-7H3/b17-16+
InChIKeyHXLREPUHPVJBKX-WUKNDPDISA-N
MW340.62 g/mol
LogP6.66
Rot. Bonds12

About (E)-2-[tert-butyl(dimethyl)silyl]oxytetradec-3-en-5-one

(E)-2-[tert-butyl(dimethyl)silyl]oxytetradec-3-en-5-one (PubChem CID 102002602) has the molecular formula C20H40O2Si and a molecular weight of 340.62 g/mol. Its IUPAC name is (E)-2-[tert-butyl(dimethyl)silyl]oxytetradec-3-en-5-one.

Molecular Properties

Compound Name(E)-2-[tert-butyl(dimethyl)silyl]oxytetradec-3-en-5-one
PubChem CID102002602
Molecular FormulaC20H40O2Si
Molecular Weight340.62 g/mol
Exact Mass340.28
IUPAC Name(E)-2-[tert-butyl(dimethyl)silyl]oxytetradec-3-en-5-one
SMILESCCCCCCCCCC(=O)/C=C/C(C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H40O2Si/c1-8-9-10-11-12-13-14-15-19(21)17-16-18(2)22-23(6,7)20(3,4)5/h16-18H,8-15H2,1-7H3/b17-16+
InChIKeyHXLREPUHPVJBKX-WUKNDPDISA-N
XLogP6.66
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.62
LogP ≤ 56.66
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)-1-[(1E)-cyclododecen-1-yl]-3-trimethylsilylprop-2-en-1-one
CID 13212265
3-Butyl-2-methyl-5-methylidene-4-tri(propan-2-yl)silyloxycyclopent-2-en-1-one
CID 16046348
(E)-1-[tert-butyl(dimethyl)silyl]oxytridec-5-en-7-one
CID 101738214
(7E)-9-[tert-butyl(dimethyl)silyl]oxy-7,11-dimethyldodeca-1,7,9,10-tetraen-3-one
CID 134885224
3-Ethyl-4-triethylsilyloxycyclohex-2-en-1-one
CID 134966340
(E,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-cyclohexyldodec-2-en-1-one
CID 10023579
4-[Tert-butyl(dimethyl)silyl]oxy-2-(7-oxooctyl)cyclopent-2-en-1-one
CID 21132810
(5E)-4-[tert-butyl(dimethyl)silyl]oxy-5-octylidenecyclopent-2-en-1-one
CID 59103627
(5Z)-4-[tert-butyl(dimethyl)silyl]oxy-5-nonan-2-ylidenecyclopent-2-en-1-one
CID 59103636
(E)-1-[tert-butyl(dimethyl)silyl]oxy-2-hydroxydodec-3-en-5-one
CID 140893852
(E)-5-[tert-butyl(dimethyl)silyl]oxydec-3-en-2-one
CID 159397916
11-[Tert-butyl(dimethyl)silyl]oxytrideca-7,9-dien-6-one
CID 173373978

Frequently Asked Questions

What is the IUPAC name of (E)-2-[tert-butyl(dimethyl)silyl]oxytetradec-3-en-5-one?
The IUPAC name of (E)-2-[tert-butyl(dimethyl)silyl]oxytetradec-3-en-5-one (CID 102002602) is (E)-2-[tert-butyl(dimethyl)silyl]oxytetradec-3-en-5-one.
What is the SMILES notation for (E)-2-[tert-butyl(dimethyl)silyl]oxytetradec-3-en-5-one?
The canonical SMILES for (E)-2-[tert-butyl(dimethyl)silyl]oxytetradec-3-en-5-one is CCCCCCCCCC(=O)/C=C/C(C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (E)-2-[tert-butyl(dimethyl)silyl]oxytetradec-3-en-5-one?
The InChIKey is HXLREPUHPVJBKX-WUKNDPDISA-N. The full InChI is InChI=1S/C20H40O2Si/c1-8-9-10-11-12-13-14-15-19(21)17-16-18(2)22-23(6,7)20(3,4)5/h16-18H,8-15H2,1-7H3/b17-16+.
What are the key properties of (E)-2-[tert-butyl(dimethyl)silyl]oxytetradec-3-en-5-one?
(E)-2-[tert-butyl(dimethyl)silyl]oxytetradec-3-en-5-one has a molecular weight of 340.62 g/mol, XLogP of 6.66, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-[tert-butyl(dimethyl)silyl]oxytetradec-3-en-5-one is sourced from PubChem (CID 102002602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).