tert-butyl-diethoxy-[(2-methylpropan-2-yl)oxy]silane

C12H28O3Si — CID 139722194

IUPACtert-butyl-diethoxy-[(2-methylpropan-2-yl)oxy]silane
SMILESCCO[Si](OCC)(OC(C)(C)C)C(C)(C)C
InChIInChI=1S/C12H28O3Si/c1-9-13-16(14-10-2,12(6,7)8)15-11(3,4)5/h9-10H2,1-8H3
InChIKeyMPZVVFFFFWBQME-UHFFFAOYSA-N
MW248.44 g/mol
LogP3.61
Rot. Bonds5

About tert-butyl-diethoxy-[(2-methylpropan-2-yl)oxy]silane

tert-butyl-diethoxy-[(2-methylpropan-2-yl)oxy]silane (PubChem CID 139722194) has the molecular formula C12H28O3Si and a molecular weight of 248.44 g/mol. Its IUPAC name is tert-butyl-diethoxy-[(2-methylpropan-2-yl)oxy]silane.

Molecular Properties

Compound Nametert-butyl-diethoxy-[(2-methylpropan-2-yl)oxy]silane
PubChem CID139722194
Molecular FormulaC12H28O3Si
Molecular Weight248.44 g/mol
Exact Mass248.18
IUPAC Nametert-butyl-diethoxy-[(2-methylpropan-2-yl)oxy]silane
SMILESCCO[Si](OCC)(OC(C)(C)C)C(C)(C)C
InChIInChI=1S/C12H28O3Si/c1-9-13-16(14-10-2,12(6,7)8)15-11(3,4)5/h9-10H2,1-8H3
InChIKeyMPZVVFFFFWBQME-UHFFFAOYSA-N
XLogP3.61
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.44
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

triethoxy(2-triethoxysilylpropan-2-yl)silane
CID 18432084
tert-butyl-[diethoxy(methyl)silyl]oxy-diethoxysilane
CID 141214610
triethoxy(2,3,3-trimethylbutan-2-yl)silane
CID 18000011
butyl(triethoxy)silane;tert-butyl(triethoxy)silane
CID 175188929
1,1-diethoxyethyl(triethoxy)silane
CID 175450759
(3-methyl-3-triethoxysilylbutyl)phosphane
CID 174985696
3-methyl-2-triethoxysilylbutan-2-amine
CID 174653209
triethoxy-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]silane
CID 23523578
triethoxy(2-methylnonan-2-yl)silane
CID 18999451
[diethoxy(triethoxysilyl)methyl] triethyl silicate
CID 58810725
triethoxy(3-ethylhexan-3-yl)silane
CID 175030722
CID 87651559
CID 87651559

Frequently Asked Questions

What is the IUPAC name of tert-butyl-diethoxy-[(2-methylpropan-2-yl)oxy]silane?
The IUPAC name of tert-butyl-diethoxy-[(2-methylpropan-2-yl)oxy]silane (CID 139722194) is tert-butyl-diethoxy-[(2-methylpropan-2-yl)oxy]silane.
What is the SMILES notation for tert-butyl-diethoxy-[(2-methylpropan-2-yl)oxy]silane?
The canonical SMILES for tert-butyl-diethoxy-[(2-methylpropan-2-yl)oxy]silane is CCO[Si](OCC)(OC(C)(C)C)C(C)(C)C.
What is the InChIKey of tert-butyl-diethoxy-[(2-methylpropan-2-yl)oxy]silane?
The InChIKey is MPZVVFFFFWBQME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28O3Si/c1-9-13-16(14-10-2,12(6,7)8)15-11(3,4)5/h9-10H2,1-8H3.
What are the key properties of tert-butyl-diethoxy-[(2-methylpropan-2-yl)oxy]silane?
tert-butyl-diethoxy-[(2-methylpropan-2-yl)oxy]silane has a molecular weight of 248.44 g/mol, XLogP of 3.61, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-diethoxy-[(2-methylpropan-2-yl)oxy]silane is sourced from PubChem (CID 139722194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).