bis(3-tert-butylcyclohexyl)-dimethoxysilane

C22H44O2Si — CID 139904122

IUPACbis(3-tert-butylcyclohexyl)-dimethoxysilane
SMILESCO[Si](OC)(C1CCCC(C(C)(C)C)C1)C1CCCC(C(C)(C)C)C1
InChIInChI=1S/C22H44O2Si/c1-21(2,3)17-11-9-13-19(15-17)25(23-7,24-8)20-14-10-12-18(16-20)22(4,5)6/h17-20H,9-16H2,1-8H3
InChIKeyWGLGQIJFPXGPQH-UHFFFAOYSA-N
MW368.68 g/mol
LogP6.93
Rot. Bonds4

About bis(3-tert-butylcyclohexyl)-dimethoxysilane

bis(3-tert-butylcyclohexyl)-dimethoxysilane (PubChem CID 139904122) has the molecular formula C22H44O2Si and a molecular weight of 368.68 g/mol. Its IUPAC name is bis(3-tert-butylcyclohexyl)-dimethoxysilane.

Molecular Properties

Compound Namebis(3-tert-butylcyclohexyl)-dimethoxysilane
PubChem CID139904122
Molecular FormulaC22H44O2Si
Molecular Weight368.68 g/mol
Exact Mass368.31
IUPAC Namebis(3-tert-butylcyclohexyl)-dimethoxysilane
SMILESCO[Si](OC)(C1CCCC(C(C)(C)C)C1)C1CCCC(C(C)(C)C)C1
InChIInChI=1S/C22H44O2Si/c1-21(2,3)17-11-9-13-19(15-17)25(23-7,24-8)20-14-10-12-18(16-20)22(4,5)6/h17-20H,9-16H2,1-8H3
InChIKeyWGLGQIJFPXGPQH-UHFFFAOYSA-N
XLogP6.93
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.68
LogP ≤ 56.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(3-tert-butylcyclohexyl)-dimethoxysilane?
The IUPAC name of bis(3-tert-butylcyclohexyl)-dimethoxysilane (CID 139904122) is bis(3-tert-butylcyclohexyl)-dimethoxysilane.
What is the SMILES notation for bis(3-tert-butylcyclohexyl)-dimethoxysilane?
The canonical SMILES for bis(3-tert-butylcyclohexyl)-dimethoxysilane is CO[Si](OC)(C1CCCC(C(C)(C)C)C1)C1CCCC(C(C)(C)C)C1.
What is the InChIKey of bis(3-tert-butylcyclohexyl)-dimethoxysilane?
The InChIKey is WGLGQIJFPXGPQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H44O2Si/c1-21(2,3)17-11-9-13-19(15-17)25(23-7,24-8)20-14-10-12-18(16-20)22(4,5)6/h17-20H,9-16H2,1-8H3.
What are the key properties of bis(3-tert-butylcyclohexyl)-dimethoxysilane?
bis(3-tert-butylcyclohexyl)-dimethoxysilane has a molecular weight of 368.68 g/mol, XLogP of 6.93, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3-tert-butylcyclohexyl)-dimethoxysilane is sourced from PubChem (CID 139904122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).