cyclohexyl-diethoxy-(2,4,4,6,6-pentamethylheptyl)silane

C22H46O2Si — CID 22446973

IUPACcyclohexyl-diethoxy-(2,4,4,6,6-pentamethylheptyl)silane
SMILESCCO[Si](CC(C)CC(C)(C)CC(C)(C)C)(OCC)C1CCCCC1
InChIInChI=1S/C22H46O2Si/c1-9-23-25(24-10-2,20-14-12-11-13-15-20)17-19(3)16-22(7,8)18-21(4,5)6/h19-20H,9-18H2,1-8H3
InChIKeyVFHNXGLGHAZPKK-UHFFFAOYSA-N
MW370.69 g/mol
LogP7.32
Rot. Bonds10

About cyclohexyl-diethoxy-(2,4,4,6,6-pentamethylheptyl)silane

cyclohexyl-diethoxy-(2,4,4,6,6-pentamethylheptyl)silane (PubChem CID 22446973) has the molecular formula C22H46O2Si and a molecular weight of 370.69 g/mol. Its IUPAC name is cyclohexyl-diethoxy-(2,4,4,6,6-pentamethylheptyl)silane.

Molecular Properties

Compound Namecyclohexyl-diethoxy-(2,4,4,6,6-pentamethylheptyl)silane
PubChem CID22446973
Molecular FormulaC22H46O2Si
Molecular Weight370.69 g/mol
Exact Mass370.33
IUPAC Namecyclohexyl-diethoxy-(2,4,4,6,6-pentamethylheptyl)silane
SMILESCCO[Si](CC(C)CC(C)(C)CC(C)(C)C)(OCC)C1CCCCC1
InChIInChI=1S/C22H46O2Si/c1-9-23-25(24-10-2,20-14-12-11-13-15-20)17-19(3)16-22(7,8)18-21(4,5)6/h19-20H,9-18H2,1-8H3
InChIKeyVFHNXGLGHAZPKK-UHFFFAOYSA-N
XLogP7.32
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.69
LogP ≤ 57.32
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 cyclohexyl-diethoxy-(2,4,4,6,6-pentamethylheptyl)silane?
The IUPAC name of cyclohexyl-diethoxy-(2,4,4,6,6-pentamethylheptyl)silane (CID 22446973) is cyclohexyl-diethoxy-(2,4,4,6,6-pentamethylheptyl)silane.
What is the SMILES notation for cyclohexyl-diethoxy-(2,4,4,6,6-pentamethylheptyl)silane?
The canonical SMILES for cyclohexyl-diethoxy-(2,4,4,6,6-pentamethylheptyl)silane is CCO[Si](CC(C)CC(C)(C)CC(C)(C)C)(OCC)C1CCCCC1.
What is the InChIKey of cyclohexyl-diethoxy-(2,4,4,6,6-pentamethylheptyl)silane?
The InChIKey is VFHNXGLGHAZPKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H46O2Si/c1-9-23-25(24-10-2,20-14-12-11-13-15-20)17-19(3)16-22(7,8)18-21(4,5)6/h19-20H,9-18H2,1-8H3.
What are the key properties of cyclohexyl-diethoxy-(2,4,4,6,6-pentamethylheptyl)silane?
cyclohexyl-diethoxy-(2,4,4,6,6-pentamethylheptyl)silane has a molecular weight of 370.69 g/mol, XLogP of 7.32, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-diethoxy-(2,4,4,6,6-pentamethylheptyl)silane is sourced from PubChem (CID 22446973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).