tert-butyl-dimethyl-[3-(15-methylhexadecoxy)propoxy]silane

C26H56O2Si — CID 59379100

IUPACtert-butyl-dimethyl-[3-(15-methylhexadecoxy)propoxy]silane
SMILESCC(C)CCCCCCCCCCCCCCOCCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C26H56O2Si/c1-25(2)21-18-16-14-12-10-8-9-11-13-15-17-19-22-27-23-20-24-28-29(6,7)26(3,4)5/h25H,8-24H2,1-7H3
InChIKeyWEHJQDYQQDWVFF-UHFFFAOYSA-N
MW428.82 g/mol
LogP9.14
Rot. Bonds20

About tert-butyl-dimethyl-[3-(15-methylhexadecoxy)propoxy]silane

tert-butyl-dimethyl-[3-(15-methylhexadecoxy)propoxy]silane (PubChem CID 59379100) has the molecular formula C26H56O2Si and a molecular weight of 428.82 g/mol. Its IUPAC name is tert-butyl-dimethyl-[3-(15-methylhexadecoxy)propoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[3-(15-methylhexadecoxy)propoxy]silane
PubChem CID59379100
Molecular FormulaC26H56O2Si
Molecular Weight428.82 g/mol
Exact Mass428.40
IUPAC Nametert-butyl-dimethyl-[3-(15-methylhexadecoxy)propoxy]silane
SMILESCC(C)CCCCCCCCCCCCCCOCCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C26H56O2Si/c1-25(2)21-18-16-14-12-10-8-9-11-13-15-17-19-22-27-23-20-24-28-29(6,7)26(3,4)5/h25H,8-24H2,1-7H3
InChIKeyWEHJQDYQQDWVFF-UHFFFAOYSA-N
XLogP9.14
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds20
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.82
LogP ≤ 59.14
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'}

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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
Silane, diethylisohexyloxy(2-octyloxy)-
CID 91698413
Silane, diethylheptyloxy(2-methyl-4-methoxybutoxy)-
CID 91733336
Silane, diethyl(2-methyl-4-methoxybutoxy)octyloxy-
CID 91735306
Silane, diethylheptyloxy(3-methylbutoxy)-
CID 91739229
Silane, diethylisobutoxyoctyloxy-
CID 91739230
Silane, diethylheptyloxy(2-methylbutoxy)-
CID 91739232
Silane, dimethyloctyloxyisohexyloxy-
CID 91740257
Silane, diethylheptyloxyisohexyloxy-
CID 91740259
Silane, diethylheptyloxy(2-methylpentyloxy)-
CID 91740261
Silane, dimethyl(2-methylbutoxy)nonyloxy-
CID 91740281

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[3-(15-methylhexadecoxy)propoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[3-(15-methylhexadecoxy)propoxy]silane (CID 59379100) is tert-butyl-dimethyl-[3-(15-methylhexadecoxy)propoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[3-(15-methylhexadecoxy)propoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[3-(15-methylhexadecoxy)propoxy]silane is CC(C)CCCCCCCCCCCCCCOCCCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-[3-(15-methylhexadecoxy)propoxy]silane?
The InChIKey is WEHJQDYQQDWVFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H56O2Si/c1-25(2)21-18-16-14-12-10-8-9-11-13-15-17-19-22-27-23-20-24-28-29(6,7)26(3,4)5/h25H,8-24H2,1-7H3.
What are the key properties of tert-butyl-dimethyl-[3-(15-methylhexadecoxy)propoxy]silane?
tert-butyl-dimethyl-[3-(15-methylhexadecoxy)propoxy]silane has a molecular weight of 428.82 g/mol, XLogP of 9.14, 20 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[3-(15-methylhexadecoxy)propoxy]silane is sourced from PubChem (CID 59379100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).