dodecoxy-(4-methylcyclohexyl)oxy-diphenylsilane

C31H48O2Si — CID 91732793

IUPACdodecoxy-(4-methylcyclohexyl)oxy-diphenylsilane
SMILESCCCCCCCCCCCCO[Si](OC1CCC(C)CC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C31H48O2Si/c1-3-4-5-6-7-8-9-10-11-18-27-32-34(30-19-14-12-15-20-30,31-21-16-13-17-22-31)33-29-25-23-28(2)24-26-29/h12-17,19-22,28-29H,3-11,18,23-27H2,1-2H3
InChIKeyFCRDGRDCKMOHEC-UHFFFAOYSA-N
MW480.81 g/mol
LogP7.78
Rot. Bonds16

About dodecoxy-(4-methylcyclohexyl)oxy-diphenylsilane

dodecoxy-(4-methylcyclohexyl)oxy-diphenylsilane (PubChem CID 91732793) has the molecular formula C31H48O2Si and a molecular weight of 480.81 g/mol. Its IUPAC name is dodecoxy-(4-methylcyclohexyl)oxy-diphenylsilane.

Molecular Properties

Compound Namedodecoxy-(4-methylcyclohexyl)oxy-diphenylsilane
PubChem CID91732793
Molecular FormulaC31H48O2Si
Molecular Weight480.81 g/mol
Exact Mass480.34
IUPAC Namedodecoxy-(4-methylcyclohexyl)oxy-diphenylsilane
SMILESCCCCCCCCCCCCO[Si](OC1CCC(C)CC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C31H48O2Si/c1-3-4-5-6-7-8-9-10-11-18-27-32-34(30-19-14-12-15-20-30,31-21-16-13-17-22-31)33-29-25-23-28(2)24-26-29/h12-17,19-22,28-29H,3-11,18,23-27H2,1-2H3
InChIKeyFCRDGRDCKMOHEC-UHFFFAOYSA-N
XLogP7.78
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.81
LogP ≤ 57.78
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 dodecoxy-(4-methylcyclohexyl)oxy-diphenylsilane?
The IUPAC name of dodecoxy-(4-methylcyclohexyl)oxy-diphenylsilane (CID 91732793) is dodecoxy-(4-methylcyclohexyl)oxy-diphenylsilane.
What is the SMILES notation for dodecoxy-(4-methylcyclohexyl)oxy-diphenylsilane?
The canonical SMILES for dodecoxy-(4-methylcyclohexyl)oxy-diphenylsilane is CCCCCCCCCCCCO[Si](OC1CCC(C)CC1)(c1ccccc1)c1ccccc1.
What is the InChIKey of dodecoxy-(4-methylcyclohexyl)oxy-diphenylsilane?
The InChIKey is FCRDGRDCKMOHEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H48O2Si/c1-3-4-5-6-7-8-9-10-11-18-27-32-34(30-19-14-12-15-20-30,31-21-16-13-17-22-31)33-29-25-23-28(2)24-26-29/h12-17,19-22,28-29H,3-11,18,23-27H2,1-2H3.
What are the key properties of dodecoxy-(4-methylcyclohexyl)oxy-diphenylsilane?
dodecoxy-(4-methylcyclohexyl)oxy-diphenylsilane has a molecular weight of 480.81 g/mol, XLogP of 7.78, 16 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dodecoxy-(4-methylcyclohexyl)oxy-diphenylsilane is sourced from PubChem (CID 91732793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).