(4-methylcyclohexyl)oxy-diphenyl-undecoxysilane

C30H46O2Si — CID 91732791

IUPAC(4-methylcyclohexyl)oxy-diphenyl-undecoxysilane
SMILESCCCCCCCCCCCO[Si](OC1CCC(C)CC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H46O2Si/c1-3-4-5-6-7-8-9-10-17-26-31-33(29-18-13-11-14-19-29,30-20-15-12-16-21-30)32-28-24-22-27(2)23-25-28/h11-16,18-21,27-28H,3-10,17,22-26H2,1-2H3
InChIKeyOXVWNYOFAODSAG-UHFFFAOYSA-N
MW466.78 g/mol
LogP7.39
Rot. Bonds15

About (4-methylcyclohexyl)oxy-diphenyl-undecoxysilane

(4-methylcyclohexyl)oxy-diphenyl-undecoxysilane (PubChem CID 91732791) has the molecular formula C30H46O2Si and a molecular weight of 466.78 g/mol. Its IUPAC name is (4-methylcyclohexyl)oxy-diphenyl-undecoxysilane.

Molecular Properties

Compound Name(4-methylcyclohexyl)oxy-diphenyl-undecoxysilane
PubChem CID91732791
Molecular FormulaC30H46O2Si
Molecular Weight466.78 g/mol
Exact Mass466.33
IUPAC Name(4-methylcyclohexyl)oxy-diphenyl-undecoxysilane
SMILESCCCCCCCCCCCO[Si](OC1CCC(C)CC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H46O2Si/c1-3-4-5-6-7-8-9-10-17-26-31-33(29-18-13-11-14-19-29,30-20-15-12-16-21-30)32-28-24-22-27(2)23-25-28/h11-16,18-21,27-28H,3-10,17,22-26H2,1-2H3
InChIKeyOXVWNYOFAODSAG-UHFFFAOYSA-N
XLogP7.39
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.78
LogP ≤ 57.39
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-diphenyl-undecoxysilane?
The IUPAC name of (4-methylcyclohexyl)oxy-diphenyl-undecoxysilane (CID 91732791) is (4-methylcyclohexyl)oxy-diphenyl-undecoxysilane.
What is the SMILES notation for (4-methylcyclohexyl)oxy-diphenyl-undecoxysilane?
The canonical SMILES for (4-methylcyclohexyl)oxy-diphenyl-undecoxysilane is CCCCCCCCCCCO[Si](OC1CCC(C)CC1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (4-methylcyclohexyl)oxy-diphenyl-undecoxysilane?
The InChIKey is OXVWNYOFAODSAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H46O2Si/c1-3-4-5-6-7-8-9-10-17-26-31-33(29-18-13-11-14-19-29,30-20-15-12-16-21-30)32-28-24-22-27(2)23-25-28/h11-16,18-21,27-28H,3-10,17,22-26H2,1-2H3.
What are the key properties of (4-methylcyclohexyl)oxy-diphenyl-undecoxysilane?
(4-methylcyclohexyl)oxy-diphenyl-undecoxysilane has a molecular weight of 466.78 g/mol, XLogP of 7.39, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylcyclohexyl)oxy-diphenyl-undecoxysilane is sourced from PubChem (CID 91732791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).