[3-tert-butyl-1-[3-tert-butyl-2,2-dimethyl-1-(silyloxymethyl)cyclohexyl]oxy-2,2-dimethylcyclohexyl]methoxysilane

C26H54O3Si2 — CID 173272950

IUPAC[3-tert-butyl-1-[3-tert-butyl-2,2-dimethyl-1-(silyloxymethyl)cyclohexyl]oxy-2,2-dimethylcyclohexyl]methoxysilane
SMILESCC(C)(C)C1CCCC(CO[SiH3])(OC2(CO[SiH3])CCCC(C(C)(C)C)C2(C)C)C1(C)C
InChIInChI=1S/C26H54O3Si2/c1-21(2,3)19-13-11-15-25(17-27-30,23(19,7)8)29-26(18-28-31)16-12-14-20(22(4,5)6)24(26,9)10/h19-20H,11-18H2,1-10,30-31H3
InChIKeyUKWGZPNAADOWDX-UHFFFAOYSA-N
MW470.89 g/mol
LogP4.82
Rot. Bonds6

About [3-tert-butyl-1-[3-tert-butyl-2,2-dimethyl-1-(silyloxymethyl)cyclohexyl]oxy-2,2-dimethylcyclohexyl]methoxysilane

[3-tert-butyl-1-[3-tert-butyl-2,2-dimethyl-1-(silyloxymethyl)cyclohexyl]oxy-2,2-dimethylcyclohexyl]methoxysilane (PubChem CID 173272950) has the molecular formula C26H54O3Si2 and a molecular weight of 470.89 g/mol. Its IUPAC name is [3-tert-butyl-1-[3-tert-butyl-2,2-dimethyl-1-(silyloxymethyl)cyclohexyl]oxy-2,2-dimethylcyclohexyl]methoxysilane.

Molecular Properties

Compound Name[3-tert-butyl-1-[3-tert-butyl-2,2-dimethyl-1-(silyloxymethyl)cyclohexyl]oxy-2,2-dimethylcyclohexyl]methoxysilane
PubChem CID173272950
Molecular FormulaC26H54O3Si2
Molecular Weight470.89 g/mol
Exact Mass470.36
IUPAC Name[3-tert-butyl-1-[3-tert-butyl-2,2-dimethyl-1-(silyloxymethyl)cyclohexyl]oxy-2,2-dimethylcyclohexyl]methoxysilane
SMILESCC(C)(C)C1CCCC(CO[SiH3])(OC2(CO[SiH3])CCCC(C(C)(C)C)C2(C)C)C1(C)C
InChIInChI=1S/C26H54O3Si2/c1-21(2,3)19-13-11-15-25(17-27-30,23(19,7)8)29-26(18-28-31)16-12-14-20(22(4,5)6)24(26,9)10/h19-20H,11-18H2,1-10,30-31H3
InChIKeyUKWGZPNAADOWDX-UHFFFAOYSA-N
XLogP4.82
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.89
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [3-tert-butyl-1-[3-tert-butyl-2,2-dimethyl-1-(silyloxymethyl)cyclohexyl]oxy-2,2-dimethylcyclohexyl]methoxysilane with MolForge

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Related Compounds

(3-tert-butyl-2,2-dimethylcycloheptyl)methoxysilane
CID 173272946
4-tert-butylspiro[4.4]nonane
CID 140778111
2-tert-butyl-1-ethyl-1-methylcyclopentane
CID 123149703
trans-(1R,2R)-2-tert-butyl-1-methylcyclohexan-1-ol
CID 23305114
cis-(1S,2S)-2-tert-butyl-1-(hydroxymethyl)cyclopentan-1-ol
CID 171582081
2-tert-butyl-1-(ethoxymethyl)cyclohexan-1-ol
CID 79568315
trans-(1R,2R)-2-tert-butyl-1-methylcyclobutan-1-ol
CID 171582108
3-tert-butyl-1-methylcyclohexan-1-ol
CID 58395164
2-(2-tert-butyl-1-hydroxycyclohexyl)acetonitrile
CID 79118971
3-tert-butyl-1,1-dimethylcyclobutane;1,1,4,4-tetramethylcyclohexane
CID 158072169
2-tert-butyl-1,1,5,5-tetramethylcyclohexane
CID 91142167
2-tert-butyl-1-cycloheptylcyclohexan-1-amine
CID 82931284

Frequently Asked Questions

What is the IUPAC name of [3-tert-butyl-1-[3-tert-butyl-2,2-dimethyl-1-(silyloxymethyl)cyclohexyl]oxy-2,2-dimethylcyclohexyl]methoxysilane?
The IUPAC name of [3-tert-butyl-1-[3-tert-butyl-2,2-dimethyl-1-(silyloxymethyl)cyclohexyl]oxy-2,2-dimethylcyclohexyl]methoxysilane (CID 173272950) is [3-tert-butyl-1-[3-tert-butyl-2,2-dimethyl-1-(silyloxymethyl)cyclohexyl]oxy-2,2-dimethylcyclohexyl]methoxysilane.
What is the SMILES notation for [3-tert-butyl-1-[3-tert-butyl-2,2-dimethyl-1-(silyloxymethyl)cyclohexyl]oxy-2,2-dimethylcyclohexyl]methoxysilane?
The canonical SMILES for [3-tert-butyl-1-[3-tert-butyl-2,2-dimethyl-1-(silyloxymethyl)cyclohexyl]oxy-2,2-dimethylcyclohexyl]methoxysilane is CC(C)(C)C1CCCC(CO[SiH3])(OC2(CO[SiH3])CCCC(C(C)(C)C)C2(C)C)C1(C)C.
What is the InChIKey of [3-tert-butyl-1-[3-tert-butyl-2,2-dimethyl-1-(silyloxymethyl)cyclohexyl]oxy-2,2-dimethylcyclohexyl]methoxysilane?
The InChIKey is UKWGZPNAADOWDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H54O3Si2/c1-21(2,3)19-13-11-15-25(17-27-30,23(19,7)8)29-26(18-28-31)16-12-14-20(22(4,5)6)24(26,9)10/h19-20H,11-18H2,1-10,30-31H3.
What are the key properties of [3-tert-butyl-1-[3-tert-butyl-2,2-dimethyl-1-(silyloxymethyl)cyclohexyl]oxy-2,2-dimethylcyclohexyl]methoxysilane?
[3-tert-butyl-1-[3-tert-butyl-2,2-dimethyl-1-(silyloxymethyl)cyclohexyl]oxy-2,2-dimethylcyclohexyl]methoxysilane has a molecular weight of 470.89 g/mol, XLogP of 4.82, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-tert-butyl-1-[3-tert-butyl-2,2-dimethyl-1-(silyloxymethyl)cyclohexyl]oxy-2,2-dimethylcyclohexyl]methoxysilane is sourced from PubChem (CID 173272950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).