decoxy-dimethyl-(4-methylpentan-2-yloxy)silane

C18H40O2Si — CID 91739172

IUPACdecoxy-dimethyl-(4-methylpentan-2-yloxy)silane
SMILESCCCCCCCCCCO[Si](C)(C)OC(C)CC(C)C
InChIInChI=1S/C18H40O2Si/c1-7-8-9-10-11-12-13-14-15-19-21(5,6)20-18(4)16-17(2)3/h17-18H,7-16H2,1-6H3
InChIKeyUPNZRUBXXDTTFU-UHFFFAOYSA-N
MW316.60 g/mol
LogP6.30
Rot. Bonds14

About decoxy-dimethyl-(4-methylpentan-2-yloxy)silane

decoxy-dimethyl-(4-methylpentan-2-yloxy)silane (PubChem CID 91739172) has the molecular formula C18H40O2Si and a molecular weight of 316.60 g/mol. Its IUPAC name is decoxy-dimethyl-(4-methylpentan-2-yloxy)silane.

Molecular Properties

Compound Namedecoxy-dimethyl-(4-methylpentan-2-yloxy)silane
PubChem CID91739172
Molecular FormulaC18H40O2Si
Molecular Weight316.60 g/mol
Exact Mass316.28
IUPAC Namedecoxy-dimethyl-(4-methylpentan-2-yloxy)silane
SMILESCCCCCCCCCCO[Si](C)(C)OC(C)CC(C)C
InChIInChI=1S/C18H40O2Si/c1-7-8-9-10-11-12-13-14-15-19-21(5,6)20-18(4)16-17(2)3/h17-18H,7-16H2,1-6H3
InChIKeyUPNZRUBXXDTTFU-UHFFFAOYSA-N
XLogP6.30
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.60
LogP ≤ 56.30
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 decoxy-dimethyl-(4-methylpentan-2-yloxy)silane?
The IUPAC name of decoxy-dimethyl-(4-methylpentan-2-yloxy)silane (CID 91739172) is decoxy-dimethyl-(4-methylpentan-2-yloxy)silane.
What is the SMILES notation for decoxy-dimethyl-(4-methylpentan-2-yloxy)silane?
The canonical SMILES for decoxy-dimethyl-(4-methylpentan-2-yloxy)silane is CCCCCCCCCCO[Si](C)(C)OC(C)CC(C)C.
What is the InChIKey of decoxy-dimethyl-(4-methylpentan-2-yloxy)silane?
The InChIKey is UPNZRUBXXDTTFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H40O2Si/c1-7-8-9-10-11-12-13-14-15-19-21(5,6)20-18(4)16-17(2)3/h17-18H,7-16H2,1-6H3.
What are the key properties of decoxy-dimethyl-(4-methylpentan-2-yloxy)silane?
decoxy-dimethyl-(4-methylpentan-2-yloxy)silane has a molecular weight of 316.60 g/mol, XLogP of 6.30, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for decoxy-dimethyl-(4-methylpentan-2-yloxy)silane is sourced from PubChem (CID 91739172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).