ditert-butyl(4-ditert-butylsilylbutoxy)silane

C20H46OSi2 — CID 146162806

IUPACditert-butyl(4-ditert-butylsilylbutoxy)silane
SMILESCC(C)(C)[SiH](CCCCO[SiH](C(C)(C)C)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C20H46OSi2/c1-17(2,3)22(18(4,5)6)16-14-13-15-21-23(19(7,8)9)20(10,11)12/h22-23H,13-16H2,1-12H3
InChIKeyOHCHKKCFKCJTLU-UHFFFAOYSA-N
MW358.76 g/mol
LogP6.93
Rot. Bonds6

About ditert-butyl(4-ditert-butylsilylbutoxy)silane

ditert-butyl(4-ditert-butylsilylbutoxy)silane (PubChem CID 146162806) has the molecular formula C20H46OSi2 and a molecular weight of 358.76 g/mol. Its IUPAC name is ditert-butyl(4-ditert-butylsilylbutoxy)silane.

Molecular Properties

Compound Nameditert-butyl(4-ditert-butylsilylbutoxy)silane
PubChem CID146162806
Molecular FormulaC20H46OSi2
Molecular Weight358.76 g/mol
Exact Mass358.31
IUPAC Nameditert-butyl(4-ditert-butylsilylbutoxy)silane
SMILESCC(C)(C)[SiH](CCCCO[SiH](C(C)(C)C)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C20H46OSi2/c1-17(2,3)22(18(4,5)6)16-14-13-15-21-23(19(7,8)9)20(10,11)12/h22-23H,13-16H2,1-12H3
InChIKeyOHCHKKCFKCJTLU-UHFFFAOYSA-N
XLogP6.93
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.76
LogP ≤ 56.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

but-3-enoxy(ditert-butyl)silane
CID 123806243
N-(ditert-butylsilyloxymethyl)ethanamine
CID 154119649
dipentoxy(propyl)silane
CID 123345702
3-dipentoxysilylpropyl(dipentoxy)silane
CID 123859896
tert-butyl(dipropoxy)silane
CID 123871390
dibutyl(tetradecoxy)silane
CID 175185035
ditert-butyl(silyloxy)silane
CID 157488794
tri(undecoxy)silane
CID 123875078
tert-butyl-methoxy-octylsilane
CID 154374497
dibutoxy(3-dibutoxysilylpropyl)silane
CID 123992864
4-[(2-methylpropan-2-yl)oxy]butan-1-amine
CID 18672802
1-fluoro-4-[(2-methylpropan-2-yl)oxy]butane
CID 166005910

Frequently Asked Questions

What is the IUPAC name of ditert-butyl(4-ditert-butylsilylbutoxy)silane?
The IUPAC name of ditert-butyl(4-ditert-butylsilylbutoxy)silane (CID 146162806) is ditert-butyl(4-ditert-butylsilylbutoxy)silane.
What is the SMILES notation for ditert-butyl(4-ditert-butylsilylbutoxy)silane?
The canonical SMILES for ditert-butyl(4-ditert-butylsilylbutoxy)silane is CC(C)(C)[SiH](CCCCO[SiH](C(C)(C)C)C(C)(C)C)C(C)(C)C.
What is the InChIKey of ditert-butyl(4-ditert-butylsilylbutoxy)silane?
The InChIKey is OHCHKKCFKCJTLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H46OSi2/c1-17(2,3)22(18(4,5)6)16-14-13-15-21-23(19(7,8)9)20(10,11)12/h22-23H,13-16H2,1-12H3.
What are the key properties of ditert-butyl(4-ditert-butylsilylbutoxy)silane?
ditert-butyl(4-ditert-butylsilylbutoxy)silane has a molecular weight of 358.76 g/mol, XLogP of 6.93, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ditert-butyl(4-ditert-butylsilylbutoxy)silane is sourced from PubChem (CID 146162806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).