(3,5-dimethylcyclohexyl)oxy-diphenyl-undecoxysilane

C31H48O2Si — CID 91732605

IUPAC(3,5-dimethylcyclohexyl)oxy-diphenyl-undecoxysilane
SMILESCCCCCCCCCCCO[Si](OC1CC(C)CC(C)C1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C31H48O2Si/c1-4-5-6-7-8-9-10-11-18-23-32-34(30-19-14-12-15-20-30,31-21-16-13-17-22-31)33-29-25-27(2)24-28(3)26-29/h12-17,19-22,27-29H,4-11,18,23-26H2,1-3H3
InChIKeyZMLOMGJKPVEKLP-UHFFFAOYSA-N
MW480.81 g/mol
LogP7.63
Rot. Bonds15

About (3,5-dimethylcyclohexyl)oxy-diphenyl-undecoxysilane

(3,5-dimethylcyclohexyl)oxy-diphenyl-undecoxysilane (PubChem CID 91732605) has the molecular formula C31H48O2Si and a molecular weight of 480.81 g/mol. Its IUPAC name is (3,5-dimethylcyclohexyl)oxy-diphenyl-undecoxysilane.

Molecular Properties

Compound Name(3,5-dimethylcyclohexyl)oxy-diphenyl-undecoxysilane
PubChem CID91732605
Molecular FormulaC31H48O2Si
Molecular Weight480.81 g/mol
Exact Mass480.34
IUPAC Name(3,5-dimethylcyclohexyl)oxy-diphenyl-undecoxysilane
SMILESCCCCCCCCCCCO[Si](OC1CC(C)CC(C)C1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C31H48O2Si/c1-4-5-6-7-8-9-10-11-18-23-32-34(30-19-14-12-15-20-30,31-21-16-13-17-22-31)33-29-25-27(2)24-28(3)26-29/h12-17,19-22,27-29H,4-11,18,23-26H2,1-3H3
InChIKeyZMLOMGJKPVEKLP-UHFFFAOYSA-N
XLogP7.63
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.81
LogP ≤ 57.63
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 (3,5-dimethylcyclohexyl)oxy-diphenyl-undecoxysilane?
The IUPAC name of (3,5-dimethylcyclohexyl)oxy-diphenyl-undecoxysilane (CID 91732605) is (3,5-dimethylcyclohexyl)oxy-diphenyl-undecoxysilane.
What is the SMILES notation for (3,5-dimethylcyclohexyl)oxy-diphenyl-undecoxysilane?
The canonical SMILES for (3,5-dimethylcyclohexyl)oxy-diphenyl-undecoxysilane is CCCCCCCCCCCO[Si](OC1CC(C)CC(C)C1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (3,5-dimethylcyclohexyl)oxy-diphenyl-undecoxysilane?
The InChIKey is ZMLOMGJKPVEKLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H48O2Si/c1-4-5-6-7-8-9-10-11-18-23-32-34(30-19-14-12-15-20-30,31-21-16-13-17-22-31)33-29-25-27(2)24-28(3)26-29/h12-17,19-22,27-29H,4-11,18,23-26H2,1-3H3.
What are the key properties of (3,5-dimethylcyclohexyl)oxy-diphenyl-undecoxysilane?
(3,5-dimethylcyclohexyl)oxy-diphenyl-undecoxysilane has a molecular weight of 480.81 g/mol, XLogP of 7.63, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylcyclohexyl)oxy-diphenyl-undecoxysilane is sourced from PubChem (CID 91732605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).