dimethyl-(4-methylpentoxy)-octoxysilane

C16H36O2Si — CID 91740257

IUPACdimethyl-(4-methylpentoxy)-octoxysilane
SMILESCCCCCCCCO[Si](C)(C)OCCCC(C)C
InChIInChI=1S/C16H36O2Si/c1-6-7-8-9-10-11-14-17-19(4,5)18-15-12-13-16(2)3/h16H,6-15H2,1-5H3
InChIKeyMBEIGRLZCIJLOG-UHFFFAOYSA-N
MW288.55 g/mol
LogP5.52
Rot. Bonds13

About dimethyl-(4-methylpentoxy)-octoxysilane

dimethyl-(4-methylpentoxy)-octoxysilane (PubChem CID 91740257) has the molecular formula C16H36O2Si and a molecular weight of 288.55 g/mol. Its IUPAC name is dimethyl-(4-methylpentoxy)-octoxysilane.

Molecular Properties

Compound Namedimethyl-(4-methylpentoxy)-octoxysilane
PubChem CID91740257
Molecular FormulaC16H36O2Si
Molecular Weight288.55 g/mol
Exact Mass288.25
IUPAC Namedimethyl-(4-methylpentoxy)-octoxysilane
SMILESCCCCCCCCO[Si](C)(C)OCCCC(C)C
InChIInChI=1S/C16H36O2Si/c1-6-7-8-9-10-11-14-17-19(4,5)18-15-12-13-16(2)3/h16H,6-15H2,1-5H3
InChIKeyMBEIGRLZCIJLOG-UHFFFAOYSA-N
XLogP5.52
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
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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Frequently Asked Questions

What is the IUPAC name of dimethyl-(4-methylpentoxy)-octoxysilane?
The IUPAC name of dimethyl-(4-methylpentoxy)-octoxysilane (CID 91740257) is dimethyl-(4-methylpentoxy)-octoxysilane.
What is the SMILES notation for dimethyl-(4-methylpentoxy)-octoxysilane?
The canonical SMILES for dimethyl-(4-methylpentoxy)-octoxysilane is CCCCCCCCO[Si](C)(C)OCCCC(C)C.
What is the InChIKey of dimethyl-(4-methylpentoxy)-octoxysilane?
The InChIKey is MBEIGRLZCIJLOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H36O2Si/c1-6-7-8-9-10-11-14-17-19(4,5)18-15-12-13-16(2)3/h16H,6-15H2,1-5H3.
What are the key properties of dimethyl-(4-methylpentoxy)-octoxysilane?
dimethyl-(4-methylpentoxy)-octoxysilane has a molecular weight of 288.55 g/mol, XLogP of 5.52, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-(4-methylpentoxy)-octoxysilane is sourced from PubChem (CID 91740257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).