dimethyl-(2-methylbutoxy)-(4-methylpentoxy)silane

C13H30O2Si — CID 91698394

IUPACdimethyl-(2-methylbutoxy)-(4-methylpentoxy)silane
SMILESCCC(C)CO[Si](C)(C)OCCCC(C)C
InChIInChI=1S/C13H30O2Si/c1-7-13(4)11-15-16(5,6)14-10-8-9-12(2)3/h12-13H,7-11H2,1-6H3
InChIKeyFLCRLILMZAYIEY-UHFFFAOYSA-N
MW246.47 g/mol
LogP4.20
Rot. Bonds9

About dimethyl-(2-methylbutoxy)-(4-methylpentoxy)silane

dimethyl-(2-methylbutoxy)-(4-methylpentoxy)silane (PubChem CID 91698394) has the molecular formula C13H30O2Si and a molecular weight of 246.47 g/mol. Its IUPAC name is dimethyl-(2-methylbutoxy)-(4-methylpentoxy)silane.

Molecular Properties

Compound Namedimethyl-(2-methylbutoxy)-(4-methylpentoxy)silane
PubChem CID91698394
Molecular FormulaC13H30O2Si
Molecular Weight246.47 g/mol
Exact Mass246.20
IUPAC Namedimethyl-(2-methylbutoxy)-(4-methylpentoxy)silane
SMILESCCC(C)CO[Si](C)(C)OCCCC(C)C
InChIInChI=1S/C13H30O2Si/c1-7-13(4)11-15-16(5,6)14-10-8-9-12(2)3/h12-13H,7-11H2,1-6H3
InChIKeyFLCRLILMZAYIEY-UHFFFAOYSA-N
XLogP4.20
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 ≤ 54.20
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

Silane, (isopentyloxy)trimethyl-
CID 519534
Dipentyloxydimethylsilane
CID 525750
Silane, (isohexyloxy)trimethyl-
CID 558059
(2-Ethylbutoxy)(trimethyl)silane
CID 554481
Silane, dimethyldi(2-ethylbutoxy)-
CID 85694059
Silane, dimethyl(2,2,3,3,4,4,5,5-octafluoropentyloxy)isohexyloxy-
CID 91698245
Silane, trimethyl(2-methylbutoxy)-
CID 554470
4-Methyl-2-pentanol, TMS derivative
CID 13860854
Dimethyl[bis(3-methylbutoxy)]silane
CID 14619508
2-Methyl-1-pentanol, tert-butyldimethylsilyl ether
CID 86203641
tert-butyl-dimethyl-[(3S)-3-methylpentoxy]silane
CID 88988001
Trimethyl-[2-(trimethylsilyloxymethyl)pentoxy]silane
CID 134895252

Frequently Asked Questions

What is the IUPAC name of dimethyl-(2-methylbutoxy)-(4-methylpentoxy)silane?
The IUPAC name of dimethyl-(2-methylbutoxy)-(4-methylpentoxy)silane (CID 91698394) is dimethyl-(2-methylbutoxy)-(4-methylpentoxy)silane.
What is the SMILES notation for dimethyl-(2-methylbutoxy)-(4-methylpentoxy)silane?
The canonical SMILES for dimethyl-(2-methylbutoxy)-(4-methylpentoxy)silane is CCC(C)CO[Si](C)(C)OCCCC(C)C.
What is the InChIKey of dimethyl-(2-methylbutoxy)-(4-methylpentoxy)silane?
The InChIKey is FLCRLILMZAYIEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30O2Si/c1-7-13(4)11-15-16(5,6)14-10-8-9-12(2)3/h12-13H,7-11H2,1-6H3.
What are the key properties of dimethyl-(2-methylbutoxy)-(4-methylpentoxy)silane?
dimethyl-(2-methylbutoxy)-(4-methylpentoxy)silane has a molecular weight of 246.47 g/mol, XLogP of 4.20, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-(2-methylbutoxy)-(4-methylpentoxy)silane is sourced from PubChem (CID 91698394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).