1-[tert-butyl(dimethyl)silyl]oxy-9-methyldec-8-en-5-one

C17H34O2Si — CID 91518681

IUPAC1-[tert-butyl(dimethyl)silyl]oxy-9-methyldec-8-en-5-one
SMILESCC(C)=CCCC(=O)CCCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H34O2Si/c1-15(2)11-10-13-16(18)12-8-9-14-19-20(6,7)17(3,4)5/h11H,8-10,12-14H2,1-7H3
InChIKeyXBGMLOZHNXEMKX-UHFFFAOYSA-N
MW298.54 g/mol
LogP5.49
Rot. Bonds9

About 1-[tert-butyl(dimethyl)silyl]oxy-9-methyldec-8-en-5-one

1-[tert-butyl(dimethyl)silyl]oxy-9-methyldec-8-en-5-one (PubChem CID 91518681) has the molecular formula C17H34O2Si and a molecular weight of 298.54 g/mol. Its IUPAC name is 1-[tert-butyl(dimethyl)silyl]oxy-9-methyldec-8-en-5-one.

Molecular Properties

Compound Name1-[tert-butyl(dimethyl)silyl]oxy-9-methyldec-8-en-5-one
PubChem CID91518681
Molecular FormulaC17H34O2Si
Molecular Weight298.54 g/mol
Exact Mass298.23
IUPAC Name1-[tert-butyl(dimethyl)silyl]oxy-9-methyldec-8-en-5-one
SMILESCC(C)=CCCC(=O)CCCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H34O2Si/c1-15(2)11-10-13-16(18)12-8-9-14-19-20(6,7)17(3,4)5/h11H,8-10,12-14H2,1-7H3
InChIKeyXBGMLOZHNXEMKX-UHFFFAOYSA-N
XLogP5.49
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.54
LogP ≤ 55.49
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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-5,9-dimethyldec-8-en-2-one
CID 11313407
9-Tri(propan-2-yl)silyloxynon-1-en-5-one
CID 91062407
(E)-8-[tert-butyl(dimethyl)silyl]oxy-4-ethyloct-3-en-2-one
CID 101265045
(E)-8-[tert-butyl(dimethyl)silyl]oxy-4-ethyltridec-3-en-7-one
CID 102321146
1-[Tert-butyl(dimethyl)silyl]oxy-3-hydroxy-10-methylundec-9-en-5-one
CID 134878865
10-[Tert-butyl(dimethyl)silyl]oxyundec-1-en-6-one
CID 11324012
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
(E)-12-[tert-butyl(dimethyl)silyl]oxyoctadec-4-enal
CID 10453377
2-[3-[Tert-butyl(dimethyl)silyl]oxypropyl]cyclohex-2-en-1-one
CID 13739584
(12Z,15Z)-4-[tert-butyl(dimethyl)silyl]oxyhenicosa-12,15-dien-2-one
CID 89431987
2-[3-[Tert-butyl(dimethyl)silyl]oxypropyl]-3-methylcyclopent-2-en-1-one
CID 90444318
6-Tri(propan-2-yl)silyloxycycloundec-6-en-1-one
CID 123248744

Frequently Asked Questions

What is the IUPAC name of 1-[tert-butyl(dimethyl)silyl]oxy-9-methyldec-8-en-5-one?
The IUPAC name of 1-[tert-butyl(dimethyl)silyl]oxy-9-methyldec-8-en-5-one (CID 91518681) is 1-[tert-butyl(dimethyl)silyl]oxy-9-methyldec-8-en-5-one.
What is the SMILES notation for 1-[tert-butyl(dimethyl)silyl]oxy-9-methyldec-8-en-5-one?
The canonical SMILES for 1-[tert-butyl(dimethyl)silyl]oxy-9-methyldec-8-en-5-one is CC(C)=CCCC(=O)CCCCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of 1-[tert-butyl(dimethyl)silyl]oxy-9-methyldec-8-en-5-one?
The InChIKey is XBGMLOZHNXEMKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34O2Si/c1-15(2)11-10-13-16(18)12-8-9-14-19-20(6,7)17(3,4)5/h11H,8-10,12-14H2,1-7H3.
What are the key properties of 1-[tert-butyl(dimethyl)silyl]oxy-9-methyldec-8-en-5-one?
1-[tert-butyl(dimethyl)silyl]oxy-9-methyldec-8-en-5-one has a molecular weight of 298.54 g/mol, XLogP of 5.49, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[tert-butyl(dimethyl)silyl]oxy-9-methyldec-8-en-5-one is sourced from PubChem (CID 91518681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).