diethyl-(3-methylpentoxy)-octoxysilane

C18H40O2Si — CID 91741057

IUPACdiethyl-(3-methylpentoxy)-octoxysilane
SMILESCCCCCCCCO[Si](CC)(CC)OCCC(C)CC
InChIInChI=1S/C18H40O2Si/c1-6-10-11-12-13-14-16-19-21(8-3,9-4)20-17-15-18(5)7-2/h18H,6-17H2,1-5H3
InChIKeyNWNSQIRAJFEMHT-UHFFFAOYSA-N
MW316.60 g/mol
LogP6.30
Rot. Bonds15

About diethyl-(3-methylpentoxy)-octoxysilane

diethyl-(3-methylpentoxy)-octoxysilane (PubChem CID 91741057) has the molecular formula C18H40O2Si and a molecular weight of 316.60 g/mol. Its IUPAC name is diethyl-(3-methylpentoxy)-octoxysilane.

Molecular Properties

Compound Namediethyl-(3-methylpentoxy)-octoxysilane
PubChem CID91741057
Molecular FormulaC18H40O2Si
Molecular Weight316.60 g/mol
Exact Mass316.28
IUPAC Namediethyl-(3-methylpentoxy)-octoxysilane
SMILESCCCCCCCCO[Si](CC)(CC)OCCC(C)CC
InChIInChI=1S/C18H40O2Si/c1-6-10-11-12-13-14-16-19-21(8-3,9-4)20-17-15-18(5)7-2/h18H,6-17H2,1-5H3
InChIKeyNWNSQIRAJFEMHT-UHFFFAOYSA-N
XLogP6.30
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
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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Frequently Asked Questions

What is the IUPAC name of diethyl-(3-methylpentoxy)-octoxysilane?
The IUPAC name of diethyl-(3-methylpentoxy)-octoxysilane (CID 91741057) is diethyl-(3-methylpentoxy)-octoxysilane.
What is the SMILES notation for diethyl-(3-methylpentoxy)-octoxysilane?
The canonical SMILES for diethyl-(3-methylpentoxy)-octoxysilane is CCCCCCCCO[Si](CC)(CC)OCCC(C)CC.
What is the InChIKey of diethyl-(3-methylpentoxy)-octoxysilane?
The InChIKey is NWNSQIRAJFEMHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H40O2Si/c1-6-10-11-12-13-14-16-19-21(8-3,9-4)20-17-15-18(5)7-2/h18H,6-17H2,1-5H3.
What are the key properties of diethyl-(3-methylpentoxy)-octoxysilane?
diethyl-(3-methylpentoxy)-octoxysilane has a molecular weight of 316.60 g/mol, XLogP of 6.30, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-(3-methylpentoxy)-octoxysilane is sourced from PubChem (CID 91741057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).