bis(2-tert-butylcyclohexyl)-diethoxysilane

C24H48O2Si — CID 139904142

IUPACbis(2-tert-butylcyclohexyl)-diethoxysilane
SMILESCCO[Si](OCC)(C1CCCCC1C(C)(C)C)C1CCCCC1C(C)(C)C
InChIInChI=1S/C24H48O2Si/c1-9-25-27(26-10-2,21-17-13-11-15-19(21)23(3,4)5)22-18-14-12-16-20(22)24(6,7)8/h19-22H,9-18H2,1-8H3
InChIKeyMZRLDWHOUOVKKB-UHFFFAOYSA-N
MW396.73 g/mol
LogP7.71
Rot. Bonds6

About bis(2-tert-butylcyclohexyl)-diethoxysilane

bis(2-tert-butylcyclohexyl)-diethoxysilane (PubChem CID 139904142) has the molecular formula C24H48O2Si and a molecular weight of 396.73 g/mol. Its IUPAC name is bis(2-tert-butylcyclohexyl)-diethoxysilane.

Molecular Properties

Compound Namebis(2-tert-butylcyclohexyl)-diethoxysilane
PubChem CID139904142
Molecular FormulaC24H48O2Si
Molecular Weight396.73 g/mol
Exact Mass396.34
IUPAC Namebis(2-tert-butylcyclohexyl)-diethoxysilane
SMILESCCO[Si](OCC)(C1CCCCC1C(C)(C)C)C1CCCCC1C(C)(C)C
InChIInChI=1S/C24H48O2Si/c1-9-25-27(26-10-2,21-17-13-11-15-19(21)23(3,4)5)22-18-14-12-16-20(22)24(6,7)8/h19-22H,9-18H2,1-8H3
InChIKeyMZRLDWHOUOVKKB-UHFFFAOYSA-N
XLogP7.71
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.73
LogP ≤ 57.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

cyclononyl-cyclopropyl-diethoxysilane
CID 139768397
bis(2,3-dimethylcyclopentyl)-diethoxysilane
CID 23287447
triethoxy-(2-methylcyclopentyl)silane
CID 59910277
ethyl 2-tert-butylcyclohexane-1-carboxylate
CID 67415687
bis(1-tert-butylcyclopentyl)-diethoxysilane;bis(2,3-dimethylcyclopentyl)-diethoxysilane
CID 23287446
bis(tert-butylcyclopentane);cyclopentane;1,2-ditert-butylcyclopentane;propane
CID 162280179
N-[cyclopentyl(diethoxy)silyl]-2-methylpropan-2-amine
CID 68953379
(2R)-1-[(1S,2S)-2-tert-butylcyclohexyl]oxybutan-2-ol
CID 76965476
cis-(1R,2R)-2-tert-butylcyclohexan-1-ol
CID 6995536
trans-(1R,2R)-1-tert-butyl-2-methylcyclohexane
CID 102398260
cyclohexyl(triethoxy)silane
CID 15653995
2-tert-butyl-N-(2,2-dimethylbutyl)cyclohexan-1-amine
CID 103460679

Frequently Asked Questions

What is the IUPAC name of bis(2-tert-butylcyclohexyl)-diethoxysilane?
The IUPAC name of bis(2-tert-butylcyclohexyl)-diethoxysilane (CID 139904142) is bis(2-tert-butylcyclohexyl)-diethoxysilane.
What is the SMILES notation for bis(2-tert-butylcyclohexyl)-diethoxysilane?
The canonical SMILES for bis(2-tert-butylcyclohexyl)-diethoxysilane is CCO[Si](OCC)(C1CCCCC1C(C)(C)C)C1CCCCC1C(C)(C)C.
What is the InChIKey of bis(2-tert-butylcyclohexyl)-diethoxysilane?
The InChIKey is MZRLDWHOUOVKKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H48O2Si/c1-9-25-27(26-10-2,21-17-13-11-15-19(21)23(3,4)5)22-18-14-12-16-20(22)24(6,7)8/h19-22H,9-18H2,1-8H3.
What are the key properties of bis(2-tert-butylcyclohexyl)-diethoxysilane?
bis(2-tert-butylcyclohexyl)-diethoxysilane has a molecular weight of 396.73 g/mol, XLogP of 7.71, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-tert-butylcyclohexyl)-diethoxysilane is sourced from PubChem (CID 139904142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).