(4-methylcyclohexyl)oxy-octoxy-diphenylsilane

C27H40O2Si — CID 91732781

IUPAC(4-methylcyclohexyl)oxy-octoxy-diphenylsilane
SMILESCCCCCCCCO[Si](OC1CCC(C)CC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H40O2Si/c1-3-4-5-6-7-14-23-28-30(26-15-10-8-11-16-26,27-17-12-9-13-18-27)29-25-21-19-24(2)20-22-25/h8-13,15-18,24-25H,3-7,14,19-23H2,1-2H3
InChIKeyORJAJLLSXUKWRS-UHFFFAOYSA-N
MW424.70 g/mol
LogP6.22
Rot. Bonds12

About (4-methylcyclohexyl)oxy-octoxy-diphenylsilane

(4-methylcyclohexyl)oxy-octoxy-diphenylsilane (PubChem CID 91732781) has the molecular formula C27H40O2Si and a molecular weight of 424.70 g/mol. Its IUPAC name is (4-methylcyclohexyl)oxy-octoxy-diphenylsilane.

Molecular Properties

Compound Name(4-methylcyclohexyl)oxy-octoxy-diphenylsilane
PubChem CID91732781
Molecular FormulaC27H40O2Si
Molecular Weight424.70 g/mol
Exact Mass424.28
IUPAC Name(4-methylcyclohexyl)oxy-octoxy-diphenylsilane
SMILESCCCCCCCCO[Si](OC1CCC(C)CC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H40O2Si/c1-3-4-5-6-7-14-23-28-30(26-15-10-8-11-16-26,27-17-12-9-13-18-27)29-25-21-19-24(2)20-22-25/h8-13,15-18,24-25H,3-7,14,19-23H2,1-2H3
InChIKeyORJAJLLSXUKWRS-UHFFFAOYSA-N
XLogP6.22
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.70
LogP ≤ 56.22
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 (4-methylcyclohexyl)oxy-octoxy-diphenylsilane?
The IUPAC name of (4-methylcyclohexyl)oxy-octoxy-diphenylsilane (CID 91732781) is (4-methylcyclohexyl)oxy-octoxy-diphenylsilane.
What is the SMILES notation for (4-methylcyclohexyl)oxy-octoxy-diphenylsilane?
The canonical SMILES for (4-methylcyclohexyl)oxy-octoxy-diphenylsilane is CCCCCCCCO[Si](OC1CCC(C)CC1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (4-methylcyclohexyl)oxy-octoxy-diphenylsilane?
The InChIKey is ORJAJLLSXUKWRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H40O2Si/c1-3-4-5-6-7-14-23-28-30(26-15-10-8-11-16-26,27-17-12-9-13-18-27)29-25-21-19-24(2)20-22-25/h8-13,15-18,24-25H,3-7,14,19-23H2,1-2H3.
What are the key properties of (4-methylcyclohexyl)oxy-octoxy-diphenylsilane?
(4-methylcyclohexyl)oxy-octoxy-diphenylsilane has a molecular weight of 424.70 g/mol, XLogP of 6.22, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylcyclohexyl)oxy-octoxy-diphenylsilane is sourced from PubChem (CID 91732781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).