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

C16H36O2Si — CID 91740258

IUPAC2-ethylhexoxy-dimethyl-(4-methylpentoxy)silane
SMILESCCCCC(CC)CO[Si](C)(C)OCCCC(C)C
InChIInChI=1S/C16H36O2Si/c1-7-9-12-16(8-2)14-18-19(5,6)17-13-10-11-15(3)4/h15-16H,7-14H2,1-6H3
InChIKeyNCJWDYPENGFAOQ-UHFFFAOYSA-N
MW288.55 g/mol
LogP5.37
Rot. Bonds12

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

2-ethylhexoxy-dimethyl-(4-methylpentoxy)silane (PubChem CID 91740258) has the molecular formula C16H36O2Si and a molecular weight of 288.55 g/mol. Its IUPAC name is 2-ethylhexoxy-dimethyl-(4-methylpentoxy)silane.

Molecular Properties

Compound Name2-ethylhexoxy-dimethyl-(4-methylpentoxy)silane
PubChem CID91740258
Molecular FormulaC16H36O2Si
Molecular Weight288.55 g/mol
Exact Mass288.25
IUPAC Name2-ethylhexoxy-dimethyl-(4-methylpentoxy)silane
SMILESCCCCC(CC)CO[Si](C)(C)OCCCC(C)C
InChIInChI=1S/C16H36O2Si/c1-7-9-12-16(8-2)14-18-19(5,6)17-13-10-11-15(3)4/h15-16H,7-14H2,1-6H3
InChIKeyNCJWDYPENGFAOQ-UHFFFAOYSA-N
XLogP5.37
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 ≤ 55.37
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

Tetra-(2-ethylhexoxy)silane
CID 221494
Bis(2-ethylbutyl) bis(2-ethylhexyl) orthosilicate
CID 112013
Silane, dimethyldi(2-ethylhexyloxy)
CID 85694064
Silane, [(2-ethylhexyl)oxy]trimethyl-
CID 554452
Silane, methylvinyldi(2-ethylhexyloxy)-
CID 23213487
tert-butyl-dimethyl-[(3S)-3-methylundecoxy]silane
CID 11312646
(s)-t-Butyl(dimethyl)[(13-methylheptadecyl)oxy]silane
CID 146679947
Silane, dimethyldi(3-methylpentyloxy)-
CID 14388494
Dimethylpyrrolbis[(2-methylpentyl)oxy]morphosilane
CID 91697347
Silane, dimethyl(3-heptyloxy)isohexyloxy-
CID 91698390
Silane, dimethyl(dodec-9-ynyloxy)isohexyloxy-
CID 91698392
Silane, dimethyldiisohexyloxy-
CID 91698398

Frequently Asked Questions

What is the IUPAC name of 2-ethylhexoxy-dimethyl-(4-methylpentoxy)silane?
The IUPAC name of 2-ethylhexoxy-dimethyl-(4-methylpentoxy)silane (CID 91740258) is 2-ethylhexoxy-dimethyl-(4-methylpentoxy)silane.
What is the SMILES notation for 2-ethylhexoxy-dimethyl-(4-methylpentoxy)silane?
The canonical SMILES for 2-ethylhexoxy-dimethyl-(4-methylpentoxy)silane is CCCCC(CC)CO[Si](C)(C)OCCCC(C)C.
What is the InChIKey of 2-ethylhexoxy-dimethyl-(4-methylpentoxy)silane?
The InChIKey is NCJWDYPENGFAOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H36O2Si/c1-7-9-12-16(8-2)14-18-19(5,6)17-13-10-11-15(3)4/h15-16H,7-14H2,1-6H3.
What are the key properties of 2-ethylhexoxy-dimethyl-(4-methylpentoxy)silane?
2-ethylhexoxy-dimethyl-(4-methylpentoxy)silane has a molecular weight of 288.55 g/mol, XLogP of 5.37, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylhexoxy-dimethyl-(4-methylpentoxy)silane is sourced from PubChem (CID 91740258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).