tert-butyl-dimethyl-[(5S,6S)-6-(2-methylprop-1-enyl)decan-5-yl]oxysilane

C20H42OSi — CID 139263530

IUPACtert-butyl-dimethyl-[(5S,6S)-6-(2-methylprop-1-enyl)decan-5-yl]oxysilane
SMILESCCCC[C@@H](C=C(C)C)[C@H](CCCC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H42OSi/c1-10-12-14-18(16-17(3)4)19(15-13-11-2)21-22(8,9)20(5,6)7/h16,18-19H,10-15H2,1-9H3/t18-,19-/m0/s1
InChIKeyPTXDAEIMVBQKKG-OALUTQOASA-N
MW326.64 g/mol
LogP7.34
Rot. Bonds10

About tert-butyl-dimethyl-[(5S,6S)-6-(2-methylprop-1-enyl)decan-5-yl]oxysilane

tert-butyl-dimethyl-[(5S,6S)-6-(2-methylprop-1-enyl)decan-5-yl]oxysilane (PubChem CID 139263530) has the molecular formula C20H42OSi and a molecular weight of 326.64 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(5S,6S)-6-(2-methylprop-1-enyl)decan-5-yl]oxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(5S,6S)-6-(2-methylprop-1-enyl)decan-5-yl]oxysilane
PubChem CID139263530
Molecular FormulaC20H42OSi
Molecular Weight326.64 g/mol
Exact Mass326.30
IUPAC Nametert-butyl-dimethyl-[(5S,6S)-6-(2-methylprop-1-enyl)decan-5-yl]oxysilane
SMILESCCCC[C@@H](C=C(C)C)[C@H](CCCC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H42OSi/c1-10-12-14-18(16-17(3)4)19(15-13-11-2)21-22(8,9)20(5,6)7/h16,18-19H,10-15H2,1-9H3/t18-,19-/m0/s1
InChIKeyPTXDAEIMVBQKKG-OALUTQOASA-N
XLogP7.34
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.64
LogP ≤ 57.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

(S)-tert-butyl((3,7-dimethyloct-6-en-1-yl)oxy)dimethylsilane
CID 22882877
(Cyclohexyl(4-fluorocyclohex-3-enyl)methoxy)triethylsilane
CID 131747135
(Bis(4-fluorocyclohex-3-enyl)methoxy)triethylsilane
CID 131747137
beta-Citronellol, TBDMS derivative
CID 11043851
alpha-Bisabolol, TMS derivative
CID 14486055
3,7-Dimethyloct-6-enoxy(triethyl)silane
CID 72751260
tert-butyl-dimethyl-[(3S,4R)-2-methyl-4-(2-methylprop-1-enyl)octan-3-yl]oxysilane
CID 11045214
7-Cyclohexa-1,4-dien-1-ylhept-1-en-4-yloxy-tri(propan-2-yl)silane
CID 11068043
tert-butyl-dimethyl-[(5S,6R)-6-(2-methylprop-1-enyl)decan-5-yl]oxysilane
CID 11077915
tert-butyl-[(1R,2R)-2-(cyclohexen-1-yl)-2-methylcyclobutyl]oxy-dimethylsilane
CID 11087190
tert-butyl-[(1S)-1-[(1R,2E)-cycloundec-2-en-1-yl]but-3-ynoxy]-dimethylsilane
CID 11232927
[(2E,12R,13S)-13-bicyclo[10.2.1]pentadeca-1(15),2-dienyl]oxy-tert-butyl-dimethylsilane
CID 11302087

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(5S,6S)-6-(2-methylprop-1-enyl)decan-5-yl]oxysilane?
The IUPAC name of tert-butyl-dimethyl-[(5S,6S)-6-(2-methylprop-1-enyl)decan-5-yl]oxysilane (CID 139263530) is tert-butyl-dimethyl-[(5S,6S)-6-(2-methylprop-1-enyl)decan-5-yl]oxysilane.
What is the SMILES notation for tert-butyl-dimethyl-[(5S,6S)-6-(2-methylprop-1-enyl)decan-5-yl]oxysilane?
The canonical SMILES for tert-butyl-dimethyl-[(5S,6S)-6-(2-methylprop-1-enyl)decan-5-yl]oxysilane is CCCC[C@@H](C=C(C)C)[C@H](CCCC)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-[(5S,6S)-6-(2-methylprop-1-enyl)decan-5-yl]oxysilane?
The InChIKey is PTXDAEIMVBQKKG-OALUTQOASA-N. The full InChI is InChI=1S/C20H42OSi/c1-10-12-14-18(16-17(3)4)19(15-13-11-2)21-22(8,9)20(5,6)7/h16,18-19H,10-15H2,1-9H3/t18-,19-/m0/s1.
What are the key properties of tert-butyl-dimethyl-[(5S,6S)-6-(2-methylprop-1-enyl)decan-5-yl]oxysilane?
tert-butyl-dimethyl-[(5S,6S)-6-(2-methylprop-1-enyl)decan-5-yl]oxysilane has a molecular weight of 326.64 g/mol, XLogP of 7.34, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(5S,6S)-6-(2-methylprop-1-enyl)decan-5-yl]oxysilane is sourced from PubChem (CID 139263530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).