dimethyl-(4-methylpentoxy)-pentan-2-yloxysilane

C13H30O2Si — CID 91733283

IUPACdimethyl-(4-methylpentoxy)-pentan-2-yloxysilane
SMILESCCCC(C)O[Si](C)(C)OCCCC(C)C
InChIInChI=1S/C13H30O2Si/c1-7-9-13(4)15-16(5,6)14-11-8-10-12(2)3/h12-13H,7-11H2,1-6H3
InChIKeyFHTQIEIHRSCPQO-UHFFFAOYSA-N
MW246.47 g/mol
LogP4.35
Rot. Bonds9

About dimethyl-(4-methylpentoxy)-pentan-2-yloxysilane

dimethyl-(4-methylpentoxy)-pentan-2-yloxysilane (PubChem CID 91733283) has the molecular formula C13H30O2Si and a molecular weight of 246.47 g/mol. Its IUPAC name is dimethyl-(4-methylpentoxy)-pentan-2-yloxysilane.

Molecular Properties

Compound Namedimethyl-(4-methylpentoxy)-pentan-2-yloxysilane
PubChem CID91733283
Molecular FormulaC13H30O2Si
Molecular Weight246.47 g/mol
Exact Mass246.20
IUPAC Namedimethyl-(4-methylpentoxy)-pentan-2-yloxysilane
SMILESCCCC(C)O[Si](C)(C)OCCCC(C)C
InChIInChI=1S/C13H30O2Si/c1-7-9-13(4)15-16(5,6)14-11-8-10-12(2)3/h12-13H,7-11H2,1-6H3
InChIKeyFHTQIEIHRSCPQO-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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

Silane, (isohexyloxy)trimethyl-
CID 558059
4-Methyl-2-pentanol, TMS derivative
CID 13860854
2-Methyl-1-pentanol, tert-butyldimethylsilyl ether
CID 86203641
Trimethyl-[2-(trimethylsilyloxymethyl)pentoxy]silane
CID 134895252
2-Methyl-4-trimethylsilyloxyoct-5-yne
CID 531270
Trimethyl[(2-methylpentyl)oxy]silane
CID 554456
(1-Isopropyl-2-methylpropoxy)trimethylsilane
CID 10867116
2-Methyl-3-pentanol, tert-butyldimethylsilyl ether
CID 91697285
4-Methyl-2-pentanol, bromomethyldimethylsilyl ether
CID 91697294
Dimethylpyrrolbis[(2-methylpentyl)oxy]morphosilane
CID 91697347
Silane, dimethyl(3-methylpentyloxy)ethoxy-
CID 91698373
Silane, dimethylisobutoxyisohexyloxy-
CID 91698388

Frequently Asked Questions

What is the IUPAC name of dimethyl-(4-methylpentoxy)-pentan-2-yloxysilane?
The IUPAC name of dimethyl-(4-methylpentoxy)-pentan-2-yloxysilane (CID 91733283) is dimethyl-(4-methylpentoxy)-pentan-2-yloxysilane.
What is the SMILES notation for dimethyl-(4-methylpentoxy)-pentan-2-yloxysilane?
The canonical SMILES for dimethyl-(4-methylpentoxy)-pentan-2-yloxysilane is CCCC(C)O[Si](C)(C)OCCCC(C)C.
What is the InChIKey of dimethyl-(4-methylpentoxy)-pentan-2-yloxysilane?
The InChIKey is FHTQIEIHRSCPQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30O2Si/c1-7-9-13(4)15-16(5,6)14-11-8-10-12(2)3/h12-13H,7-11H2,1-6H3.
What are the key properties of dimethyl-(4-methylpentoxy)-pentan-2-yloxysilane?
dimethyl-(4-methylpentoxy)-pentan-2-yloxysilane 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 dimethyl-(4-methylpentoxy)-pentan-2-yloxysilane is sourced from PubChem (CID 91733283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).