3,3-dimethylbutan-2-yloxy-diethyl-hexoxysilane

C16H36O2Si — CID 91736747

IUPAC3,3-dimethylbutan-2-yloxy-diethyl-hexoxysilane
SMILESCCCCCCO[Si](CC)(CC)OC(C)C(C)(C)C
InChIInChI=1S/C16H36O2Si/c1-8-11-12-13-14-17-19(9-2,10-3)18-15(4)16(5,6)7/h15H,8-14H2,1-7H3
InChIKeyCOTCITQCHGPWJJ-UHFFFAOYSA-N
MW288.55 g/mol
LogP5.52
Rot. Bonds10

About 3,3-dimethylbutan-2-yloxy-diethyl-hexoxysilane

3,3-dimethylbutan-2-yloxy-diethyl-hexoxysilane (PubChem CID 91736747) has the molecular formula C16H36O2Si and a molecular weight of 288.55 g/mol. Its IUPAC name is 3,3-dimethylbutan-2-yloxy-diethyl-hexoxysilane.

Molecular Properties

Compound Name3,3-dimethylbutan-2-yloxy-diethyl-hexoxysilane
PubChem CID91736747
Molecular FormulaC16H36O2Si
Molecular Weight288.55 g/mol
Exact Mass288.25
IUPAC Name3,3-dimethylbutan-2-yloxy-diethyl-hexoxysilane
SMILESCCCCCCO[Si](CC)(CC)OC(C)C(C)(C)C
InChIInChI=1S/C16H36O2Si/c1-8-11-12-13-14-17-19(9-2,10-3)18-15(4)16(5,6)7/h15H,8-14H2,1-7H3
InChIKeyCOTCITQCHGPWJJ-UHFFFAOYSA-N
XLogP5.52
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.55
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethylbutan-2-yloxy-diethyl-hexoxysilane?
The IUPAC name of 3,3-dimethylbutan-2-yloxy-diethyl-hexoxysilane (CID 91736747) is 3,3-dimethylbutan-2-yloxy-diethyl-hexoxysilane.
What is the SMILES notation for 3,3-dimethylbutan-2-yloxy-diethyl-hexoxysilane?
The canonical SMILES for 3,3-dimethylbutan-2-yloxy-diethyl-hexoxysilane is CCCCCCO[Si](CC)(CC)OC(C)C(C)(C)C.
What is the InChIKey of 3,3-dimethylbutan-2-yloxy-diethyl-hexoxysilane?
The InChIKey is COTCITQCHGPWJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H36O2Si/c1-8-11-12-13-14-17-19(9-2,10-3)18-15(4)16(5,6)7/h15H,8-14H2,1-7H3.
What are the key properties of 3,3-dimethylbutan-2-yloxy-diethyl-hexoxysilane?
3,3-dimethylbutan-2-yloxy-diethyl-hexoxysilane has a molecular weight of 288.55 g/mol, XLogP of 5.52, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethylbutan-2-yloxy-diethyl-hexoxysilane is sourced from PubChem (CID 91736747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).