diethyl-(3-methylpentan-2-yloxy)-propoxysilane

C13H30O2Si — CID 91730329

IUPACdiethyl-(3-methylpentan-2-yloxy)-propoxysilane
SMILESCCCO[Si](CC)(CC)OC(C)C(C)CC
InChIInChI=1S/C13H30O2Si/c1-7-11-14-16(9-3,10-4)15-13(6)12(5)8-2/h12-13H,7-11H2,1-6H3
InChIKeyPEQMEYMZWCCWGN-UHFFFAOYSA-N
MW246.47 g/mol
LogP4.35
Rot. Bonds9

About diethyl-(3-methylpentan-2-yloxy)-propoxysilane

diethyl-(3-methylpentan-2-yloxy)-propoxysilane (PubChem CID 91730329) has the molecular formula C13H30O2Si and a molecular weight of 246.47 g/mol. Its IUPAC name is diethyl-(3-methylpentan-2-yloxy)-propoxysilane.

Molecular Properties

Compound Namediethyl-(3-methylpentan-2-yloxy)-propoxysilane
PubChem CID91730329
Molecular FormulaC13H30O2Si
Molecular Weight246.47 g/mol
Exact Mass246.20
IUPAC Namediethyl-(3-methylpentan-2-yloxy)-propoxysilane
SMILESCCCO[Si](CC)(CC)OC(C)C(C)CC
InChIInChI=1S/C13H30O2Si/c1-7-11-14-16(9-3,10-4)15-13(6)12(5)8-2/h12-13H,7-11H2,1-6H3
InChIKeyPEQMEYMZWCCWGN-UHFFFAOYSA-N
XLogP4.35
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.47
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2-Ethylbutoxy)(trimethyl)silane
CID 554481
Silane, dimethyldi(2-ethylbutoxy)-
CID 85694059
4-Methyl-2-pentanol, TMS derivative
CID 13860854
2-Pentanol, TBDMS derivative
CID 14844070
3-Methylbutan-2-ol, tert-butyldimethylsilyl ether
CID 91697265
Silane, diethylethoxy(2-pentyloxy)-
CID 91710728
tert-butyl-dimethyl-[(3S)-3-methylpentoxy]silane
CID 88988001
2-Ethyl-1-butanol, tert-butyldimethylsilyl ether
CID 91697284
2-Methyl-3-pentanol, tert-butyldimethylsilyl ether
CID 91697285
Silane, dimethyl(3-methylpentyloxy)ethoxy-
CID 91698373
Silane, dimethyl(3-methylpentyloxy)butoxy-
CID 91698389
Silane, diethylisohexyloxy(4-methylpent-2-yloxy)-
CID 91698408

Frequently Asked Questions

What is the IUPAC name of diethyl-(3-methylpentan-2-yloxy)-propoxysilane?
The IUPAC name of diethyl-(3-methylpentan-2-yloxy)-propoxysilane (CID 91730329) is diethyl-(3-methylpentan-2-yloxy)-propoxysilane.
What is the SMILES notation for diethyl-(3-methylpentan-2-yloxy)-propoxysilane?
The canonical SMILES for diethyl-(3-methylpentan-2-yloxy)-propoxysilane is CCCO[Si](CC)(CC)OC(C)C(C)CC.
What is the InChIKey of diethyl-(3-methylpentan-2-yloxy)-propoxysilane?
The InChIKey is PEQMEYMZWCCWGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30O2Si/c1-7-11-14-16(9-3,10-4)15-13(6)12(5)8-2/h12-13H,7-11H2,1-6H3.
What are the key properties of diethyl-(3-methylpentan-2-yloxy)-propoxysilane?
diethyl-(3-methylpentan-2-yloxy)-propoxysilane has a molecular weight of 246.47 g/mol, XLogP of 4.35, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-(3-methylpentan-2-yloxy)-propoxysilane is sourced from PubChem (CID 91730329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).