3,3-dimethylbutan-2-yloxy-diethyl-(4-methylpentoxy)silane

C16H36O2Si — CID 91698395

IUPAC3,3-dimethylbutan-2-yloxy-diethyl-(4-methylpentoxy)silane
SMILESCC[Si](CC)(OCCCC(C)C)OC(C)C(C)(C)C
InChIInChI=1S/C16H36O2Si/c1-9-19(10-2,17-13-11-12-14(3)4)18-15(5)16(6,7)8/h14-15H,9-13H2,1-8H3
InChIKeyJWDJHGYQYCCZOQ-UHFFFAOYSA-N
MW288.55 g/mol
LogP5.37
Rot. Bonds9

About 3,3-dimethylbutan-2-yloxy-diethyl-(4-methylpentoxy)silane

3,3-dimethylbutan-2-yloxy-diethyl-(4-methylpentoxy)silane (PubChem CID 91698395) has the molecular formula C16H36O2Si and a molecular weight of 288.55 g/mol. Its IUPAC name is 3,3-dimethylbutan-2-yloxy-diethyl-(4-methylpentoxy)silane.

Molecular Properties

Compound Name3,3-dimethylbutan-2-yloxy-diethyl-(4-methylpentoxy)silane
PubChem CID91698395
Molecular FormulaC16H36O2Si
Molecular Weight288.55 g/mol
Exact Mass288.25
IUPAC Name3,3-dimethylbutan-2-yloxy-diethyl-(4-methylpentoxy)silane
SMILESCC[Si](CC)(OCCCC(C)C)OC(C)C(C)(C)C
InChIInChI=1S/C16H36O2Si/c1-9-19(10-2,17-13-11-12-14(3)4)18-15(5)16(6,7)8/h14-15H,9-13H2,1-8H3
InChIKeyJWDJHGYQYCCZOQ-UHFFFAOYSA-N
XLogP5.37
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.55
LogP ≤ 55.37
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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Related Compounds

(4,4-Dimethyl-1-trimethylsilyloxypentan-3-yl)oxy-trimethylsilane
CID 85597412
Silane, diethylisohexyloxy(2-methylbutoxy)-
CID 91698400
Silane, diethylisohexyloxy(4-methylpent-2-yloxy)-
CID 91698408
Silane, diethylisohexyloxy(4-octyloxy)-
CID 91698414
Silane, diethylisobutoxy(2-methylpent-3-yloxy)-
CID 91699875
Silane, methylvinyl(2,4,4-trimethylpentyloxy)isopropoxy-
CID 91723174
Silane, methylvinyl(2,4,4-trimethylpentyloxy)(methylvinyl(2,4,4-trimethylpentyloxy)silyloxy)-
CID 91726539
Silane, methylvinyl(2,4,4-trimethylpentyloxy)pentyloxy-
CID 91730083
Silane, methylvinyl(2,4,4-trimethylpentyloxy)(methylvinylethoxysilyloxy)-
CID 91733146
Silane, dimethyldi(4-methylpent-2-yloxy)-
CID 91733276
Silane, dimethyl(2-hexyloxy)isohexyloxy-
CID 91733280
Silane, dimethyl(2-pentyloxy)isohexyloxy-
CID 91733283

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethylbutan-2-yloxy-diethyl-(4-methylpentoxy)silane?
The IUPAC name of 3,3-dimethylbutan-2-yloxy-diethyl-(4-methylpentoxy)silane (CID 91698395) is 3,3-dimethylbutan-2-yloxy-diethyl-(4-methylpentoxy)silane.
What is the SMILES notation for 3,3-dimethylbutan-2-yloxy-diethyl-(4-methylpentoxy)silane?
The canonical SMILES for 3,3-dimethylbutan-2-yloxy-diethyl-(4-methylpentoxy)silane is CC[Si](CC)(OCCCC(C)C)OC(C)C(C)(C)C.
What is the InChIKey of 3,3-dimethylbutan-2-yloxy-diethyl-(4-methylpentoxy)silane?
The InChIKey is JWDJHGYQYCCZOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H36O2Si/c1-9-19(10-2,17-13-11-12-14(3)4)18-15(5)16(6,7)8/h14-15H,9-13H2,1-8H3.
What are the key properties of 3,3-dimethylbutan-2-yloxy-diethyl-(4-methylpentoxy)silane?
3,3-dimethylbutan-2-yloxy-diethyl-(4-methylpentoxy)silane has a molecular weight of 288.55 g/mol, XLogP of 5.37, 9 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-(4-methylpentoxy)silane is sourced from PubChem (CID 91698395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).