tert-butyl-[cyclodecyl(ethoxy)methyl]-dimethylsilane

C19H40OSi — CID 22447610

IUPACtert-butyl-[cyclodecyl(ethoxy)methyl]-dimethylsilane
SMILESCCOC(C1CCCCCCCCC1)[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H40OSi/c1-7-20-18(21(5,6)19(2,3)4)17-15-13-11-9-8-10-12-14-16-17/h17-18H,7-16H2,1-6H3
InChIKeyNQUBQVJMDCACLE-UHFFFAOYSA-N
MW312.61 g/mol
LogP6.58
Rot. Bonds4

About tert-butyl-[cyclodecyl(ethoxy)methyl]-dimethylsilane

tert-butyl-[cyclodecyl(ethoxy)methyl]-dimethylsilane (PubChem CID 22447610) has the molecular formula C19H40OSi and a molecular weight of 312.61 g/mol. Its IUPAC name is tert-butyl-[cyclodecyl(ethoxy)methyl]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[cyclodecyl(ethoxy)methyl]-dimethylsilane
PubChem CID22447610
Molecular FormulaC19H40OSi
Molecular Weight312.61 g/mol
Exact Mass312.28
IUPAC Nametert-butyl-[cyclodecyl(ethoxy)methyl]-dimethylsilane
SMILESCCOC(C1CCCCCCCCC1)[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H40OSi/c1-7-20-18(21(5,6)19(2,3)4)17-15-13-11-9-8-10-12-14-16-17/h17-18H,7-16H2,1-6H3
InChIKeyNQUBQVJMDCACLE-UHFFFAOYSA-N
XLogP6.58
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.61
LogP ≤ 56.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-dimethyl-[(3S)-3-methylundecoxy]silane
CID 11312646
(s)-t-Butyl(dimethyl)[(13-methylheptadecyl)oxy]silane
CID 146679947
tert-butyl-dimethyl-[(3R)-3-methylundecoxy]silane
CID 102344944
(s)-2-Methyl-1-(t-butyldimethylsilyloxy)-dodecane
CID 129866526
2-Ethyldodecoxy(trimethyl)silane
CID 134892470
Triethyl(9-methyldecoxy)silane
CID 134895577
Tert-butyl-dimethyl-(8-methylnonoxy)silane
CID 134979406
1-Docosanol, 20-methyl, TMS
CID 526068
1-Eicosanol, 18-methyl, TMS
CID 526069
1-Hexadecanol, 14-methyl, TMS
CID 526070
1-Octadecanol, 16-methyl, TMS
CID 526071
10-methyl-1-octadecanol, tBDMS
CID 6430205

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[cyclodecyl(ethoxy)methyl]-dimethylsilane?
The IUPAC name of tert-butyl-[cyclodecyl(ethoxy)methyl]-dimethylsilane (CID 22447610) is tert-butyl-[cyclodecyl(ethoxy)methyl]-dimethylsilane.
What is the SMILES notation for tert-butyl-[cyclodecyl(ethoxy)methyl]-dimethylsilane?
The canonical SMILES for tert-butyl-[cyclodecyl(ethoxy)methyl]-dimethylsilane is CCOC(C1CCCCCCCCC1)[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[cyclodecyl(ethoxy)methyl]-dimethylsilane?
The InChIKey is NQUBQVJMDCACLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40OSi/c1-7-20-18(21(5,6)19(2,3)4)17-15-13-11-9-8-10-12-14-16-17/h17-18H,7-16H2,1-6H3.
What are the key properties of tert-butyl-[cyclodecyl(ethoxy)methyl]-dimethylsilane?
tert-butyl-[cyclodecyl(ethoxy)methyl]-dimethylsilane has a molecular weight of 312.61 g/mol, XLogP of 6.58, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[cyclodecyl(ethoxy)methyl]-dimethylsilane is sourced from PubChem (CID 22447610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).