tert-butyl-dimethoxy-(2,4,4,6,6-pentamethylheptyl)silane

C18H40O2Si — CID 10925150

IUPACtert-butyl-dimethoxy-(2,4,4,6,6-pentamethylheptyl)silane
SMILESCO[Si](CC(C)CC(C)(C)CC(C)(C)C)(OC)C(C)(C)C
InChIInChI=1S/C18H40O2Si/c1-15(12-18(8,9)14-16(2,3)4)13-21(19-10,20-11)17(5,6)7/h15H,12-14H2,1-11H3
InChIKeyCXCOWDSITGLSJF-UHFFFAOYSA-N
MW316.60 g/mol
LogP6.01
Rot. Bonds7

About tert-butyl-dimethoxy-(2,4,4,6,6-pentamethylheptyl)silane

tert-butyl-dimethoxy-(2,4,4,6,6-pentamethylheptyl)silane (PubChem CID 10925150) has the molecular formula C18H40O2Si and a molecular weight of 316.60 g/mol. Its IUPAC name is tert-butyl-dimethoxy-(2,4,4,6,6-pentamethylheptyl)silane.

Molecular Properties

Compound Nametert-butyl-dimethoxy-(2,4,4,6,6-pentamethylheptyl)silane
PubChem CID10925150
Molecular FormulaC18H40O2Si
Molecular Weight316.60 g/mol
Exact Mass316.28
IUPAC Nametert-butyl-dimethoxy-(2,4,4,6,6-pentamethylheptyl)silane
SMILESCO[Si](CC(C)CC(C)(C)CC(C)(C)C)(OC)C(C)(C)C
InChIInChI=1S/C18H40O2Si/c1-15(12-18(8,9)14-16(2,3)4)13-21(19-10,20-11)17(5,6)7/h15H,12-14H2,1-11H3
InChIKeyCXCOWDSITGLSJF-UHFFFAOYSA-N
XLogP6.01
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.60
LogP ≤ 56.01
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 tert-butyl-dimethoxy-(2,4,4,6,6-pentamethylheptyl)silane?
The IUPAC name of tert-butyl-dimethoxy-(2,4,4,6,6-pentamethylheptyl)silane (CID 10925150) is tert-butyl-dimethoxy-(2,4,4,6,6-pentamethylheptyl)silane.
What is the SMILES notation for tert-butyl-dimethoxy-(2,4,4,6,6-pentamethylheptyl)silane?
The canonical SMILES for tert-butyl-dimethoxy-(2,4,4,6,6-pentamethylheptyl)silane is CO[Si](CC(C)CC(C)(C)CC(C)(C)C)(OC)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethoxy-(2,4,4,6,6-pentamethylheptyl)silane?
The InChIKey is CXCOWDSITGLSJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H40O2Si/c1-15(12-18(8,9)14-16(2,3)4)13-21(19-10,20-11)17(5,6)7/h15H,12-14H2,1-11H3.
What are the key properties of tert-butyl-dimethoxy-(2,4,4,6,6-pentamethylheptyl)silane?
tert-butyl-dimethoxy-(2,4,4,6,6-pentamethylheptyl)silane has a molecular weight of 316.60 g/mol, XLogP of 6.01, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethoxy-(2,4,4,6,6-pentamethylheptyl)silane is sourced from PubChem (CID 10925150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).