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

C16H36O2Si — CID 91733285

IUPACdimethyl-(4-methylpentoxy)-octan-2-yloxysilane
SMILESCCCCCCC(C)O[Si](C)(C)OCCCC(C)C
InChIInChI=1S/C16H36O2Si/c1-7-8-9-10-13-16(4)18-19(5,6)17-14-11-12-15(2)3/h15-16H,7-14H2,1-6H3
InChIKeyMSFYYSZKNSOUDF-UHFFFAOYSA-N
MW288.55 g/mol
LogP5.52
Rot. Bonds12

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

dimethyl-(4-methylpentoxy)-octan-2-yloxysilane (PubChem CID 91733285) has the molecular formula C16H36O2Si and a molecular weight of 288.55 g/mol. Its IUPAC name is dimethyl-(4-methylpentoxy)-octan-2-yloxysilane.

Molecular Properties

Compound Namedimethyl-(4-methylpentoxy)-octan-2-yloxysilane
PubChem CID91733285
Molecular FormulaC16H36O2Si
Molecular Weight288.55 g/mol
Exact Mass288.25
IUPAC Namedimethyl-(4-methylpentoxy)-octan-2-yloxysilane
SMILESCCCCCCC(C)O[Si](C)(C)OCCCC(C)C
InChIInChI=1S/C16H36O2Si/c1-7-8-9-10-13-16(4)18-19(5,6)17-14-11-12-15(2)3/h15-16H,7-14H2,1-6H3
InChIKeyMSFYYSZKNSOUDF-UHFFFAOYSA-N
XLogP5.52
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
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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Related Compounds

Silane, dimethyldi(2-ethylhexyloxy)
CID 85694064
Silane, dimethyldi(2-octyloxy)-
CID 85708223
3-Dimethylsilyloxypentadecane
CID 6328887
tert-butyl-dimethyl-[(3S)-3-methylundecoxy]silane
CID 11312646
(s)-t-Butyl(dimethyl)[(13-methylheptadecyl)oxy]silane
CID 146679947
7-Trimethylsilyloxytetradecane
CID 518579
1,2-Heptadecanediol, di-TMS
CID 528978
2-decanol, tBDMS
CID 6430226
Silane, dimethyl(3-heptyloxy)isohexyloxy-
CID 91698390
Silane, dimethyl(dodec-9-ynyloxy)isohexyloxy-
CID 91698392
Silane, diethylisohexyloxy(2-octyloxy)-
CID 91698413
Silane, diethylisohexyloxy(4-octyloxy)-
CID 91698414

Frequently Asked Questions

What is the IUPAC name of dimethyl-(4-methylpentoxy)-octan-2-yloxysilane?
The IUPAC name of dimethyl-(4-methylpentoxy)-octan-2-yloxysilane (CID 91733285) is dimethyl-(4-methylpentoxy)-octan-2-yloxysilane.
What is the SMILES notation for dimethyl-(4-methylpentoxy)-octan-2-yloxysilane?
The canonical SMILES for dimethyl-(4-methylpentoxy)-octan-2-yloxysilane is CCCCCCC(C)O[Si](C)(C)OCCCC(C)C.
What is the InChIKey of dimethyl-(4-methylpentoxy)-octan-2-yloxysilane?
The InChIKey is MSFYYSZKNSOUDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H36O2Si/c1-7-8-9-10-13-16(4)18-19(5,6)17-14-11-12-15(2)3/h15-16H,7-14H2,1-6H3.
What are the key properties of dimethyl-(4-methylpentoxy)-octan-2-yloxysilane?
dimethyl-(4-methylpentoxy)-octan-2-yloxysilane has a molecular weight of 288.55 g/mol, XLogP of 5.52, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-(4-methylpentoxy)-octan-2-yloxysilane is sourced from PubChem (CID 91733285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).