decoxy-(4-methylcyclohexyl)oxy-diphenylsilane

C29H44O2Si — CID 91732789

IUPACdecoxy-(4-methylcyclohexyl)oxy-diphenylsilane
SMILESCCCCCCCCCCO[Si](OC1CCC(C)CC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H44O2Si/c1-3-4-5-6-7-8-9-16-25-30-32(28-17-12-10-13-18-28,29-19-14-11-15-20-29)31-27-23-21-26(2)22-24-27/h10-15,17-20,26-27H,3-9,16,21-25H2,1-2H3
InChIKeyQHLISWXVBMYFTB-UHFFFAOYSA-N
MW452.76 g/mol
LogP7.00
Rot. Bonds14

About decoxy-(4-methylcyclohexyl)oxy-diphenylsilane

decoxy-(4-methylcyclohexyl)oxy-diphenylsilane (PubChem CID 91732789) has the molecular formula C29H44O2Si and a molecular weight of 452.76 g/mol. Its IUPAC name is decoxy-(4-methylcyclohexyl)oxy-diphenylsilane.

Molecular Properties

Compound Namedecoxy-(4-methylcyclohexyl)oxy-diphenylsilane
PubChem CID91732789
Molecular FormulaC29H44O2Si
Molecular Weight452.76 g/mol
Exact Mass452.31
IUPAC Namedecoxy-(4-methylcyclohexyl)oxy-diphenylsilane
SMILESCCCCCCCCCCO[Si](OC1CCC(C)CC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H44O2Si/c1-3-4-5-6-7-8-9-16-25-30-32(28-17-12-10-13-18-28,29-19-14-11-15-20-29)31-27-23-21-26(2)22-24-27/h10-15,17-20,26-27H,3-9,16,21-25H2,1-2H3
InChIKeyQHLISWXVBMYFTB-UHFFFAOYSA-N
XLogP7.00
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.76
LogP ≤ 57.00
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 decoxy-(4-methylcyclohexyl)oxy-diphenylsilane?
The IUPAC name of decoxy-(4-methylcyclohexyl)oxy-diphenylsilane (CID 91732789) is decoxy-(4-methylcyclohexyl)oxy-diphenylsilane.
What is the SMILES notation for decoxy-(4-methylcyclohexyl)oxy-diphenylsilane?
The canonical SMILES for decoxy-(4-methylcyclohexyl)oxy-diphenylsilane is CCCCCCCCCCO[Si](OC1CCC(C)CC1)(c1ccccc1)c1ccccc1.
What is the InChIKey of decoxy-(4-methylcyclohexyl)oxy-diphenylsilane?
The InChIKey is QHLISWXVBMYFTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H44O2Si/c1-3-4-5-6-7-8-9-16-25-30-32(28-17-12-10-13-18-28,29-19-14-11-15-20-29)31-27-23-21-26(2)22-24-27/h10-15,17-20,26-27H,3-9,16,21-25H2,1-2H3.
What are the key properties of decoxy-(4-methylcyclohexyl)oxy-diphenylsilane?
decoxy-(4-methylcyclohexyl)oxy-diphenylsilane has a molecular weight of 452.76 g/mol, XLogP of 7.00, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for decoxy-(4-methylcyclohexyl)oxy-diphenylsilane is sourced from PubChem (CID 91732789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).