dimethyl-(4-methylpentoxy)-octylsilane

C16H36OSi — CID 594306

IUPACdimethyl-(4-methylpentoxy)-octylsilane
SMILESCCCCCCCC[Si](C)(C)OCCCC(C)C
InChIInChI=1S/C16H36OSi/c1-6-7-8-9-10-11-15-18(4,5)17-14-12-13-16(2)3/h16H,6-15H2,1-5H3
InChIKeyLTBVTTHCPCGDDW-UHFFFAOYSA-N
MW272.55 g/mol
LogP6.00
Rot. Bonds12

About dimethyl-(4-methylpentoxy)-octylsilane

dimethyl-(4-methylpentoxy)-octylsilane (PubChem CID 594306) has the molecular formula C16H36OSi and a molecular weight of 272.55 g/mol. Its IUPAC name is dimethyl-(4-methylpentoxy)-octylsilane.

Molecular Properties

Compound Namedimethyl-(4-methylpentoxy)-octylsilane
PubChem CID594306
Molecular FormulaC16H36OSi
Molecular Weight272.55 g/mol
Exact Mass272.25
IUPAC Namedimethyl-(4-methylpentoxy)-octylsilane
SMILESCCCCCCCC[Si](C)(C)OCCCC(C)C
InChIInChI=1S/C16H36OSi/c1-6-7-8-9-10-11-15-18(4,5)17-14-12-13-16(2)3/h16H,6-15H2,1-5H3
InChIKeyLTBVTTHCPCGDDW-UHFFFAOYSA-N
XLogP6.00
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.55
LogP ≤ 56.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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)-octylsilane?
The IUPAC name of dimethyl-(4-methylpentoxy)-octylsilane (CID 594306) is dimethyl-(4-methylpentoxy)-octylsilane.
What is the SMILES notation for dimethyl-(4-methylpentoxy)-octylsilane?
The canonical SMILES for dimethyl-(4-methylpentoxy)-octylsilane is CCCCCCCC[Si](C)(C)OCCCC(C)C.
What is the InChIKey of dimethyl-(4-methylpentoxy)-octylsilane?
The InChIKey is LTBVTTHCPCGDDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H36OSi/c1-6-7-8-9-10-11-15-18(4,5)17-14-12-13-16(2)3/h16H,6-15H2,1-5H3.
What are the key properties of dimethyl-(4-methylpentoxy)-octylsilane?
dimethyl-(4-methylpentoxy)-octylsilane has a molecular weight of 272.55 g/mol, XLogP of 6.00, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-(4-methylpentoxy)-octylsilane is sourced from PubChem (CID 594306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).