[1-(2-chloro-4,6-dimethylphenyl)-3-(4,4-dimethylcyclohexyl)propoxy]-triethylsilane

C25H43ClOSi — CID 158762913

IUPAC[1-(2-chloro-4,6-dimethylphenyl)-3-(4,4-dimethylcyclohexyl)propoxy]-triethylsilane
SMILESCC[Si](CC)(CC)OC(CCC1CCC(C)(C)CC1)c1c(C)cc(C)cc1Cl
InChIInChI=1S/C25H43ClOSi/c1-8-28(9-2,10-3)27-23(24-20(5)17-19(4)18-22(24)26)12-11-21-13-15-25(6,7)16-14-21/h17-18,21,23H,8-16H2,1-7H3
InChIKeyBYUBDMJVFGDVHU-UHFFFAOYSA-N
MW423.16 g/mol
LogP9.02
Rot. Bonds9

About [1-(2-chloro-4,6-dimethylphenyl)-3-(4,4-dimethylcyclohexyl)propoxy]-triethylsilane

[1-(2-chloro-4,6-dimethylphenyl)-3-(4,4-dimethylcyclohexyl)propoxy]-triethylsilane (PubChem CID 158762913) has the molecular formula C25H43ClOSi and a molecular weight of 423.16 g/mol. Its IUPAC name is [1-(2-chloro-4,6-dimethylphenyl)-3-(4,4-dimethylcyclohexyl)propoxy]-triethylsilane.

Molecular Properties

Compound Name[1-(2-chloro-4,6-dimethylphenyl)-3-(4,4-dimethylcyclohexyl)propoxy]-triethylsilane
PubChem CID158762913
Molecular FormulaC25H43ClOSi
Molecular Weight423.16 g/mol
Exact Mass422.28
IUPAC Name[1-(2-chloro-4,6-dimethylphenyl)-3-(4,4-dimethylcyclohexyl)propoxy]-triethylsilane
SMILESCC[Si](CC)(CC)OC(CCC1CCC(C)(C)CC1)c1c(C)cc(C)cc1Cl
InChIInChI=1S/C25H43ClOSi/c1-8-28(9-2,10-3)27-23(24-20(5)17-19(4)18-22(24)26)12-11-21-13-15-25(6,7)16-14-21/h17-18,21,23H,8-16H2,1-7H3
InChIKeyBYUBDMJVFGDVHU-UHFFFAOYSA-N
XLogP9.02
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.16
LogP ≤ 59.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [1-(2-chloro-4,6-dimethylphenyl)-3-(4,4-dimethylcyclohexyl)propoxy]-triethylsilane?
The IUPAC name of [1-(2-chloro-4,6-dimethylphenyl)-3-(4,4-dimethylcyclohexyl)propoxy]-triethylsilane (CID 158762913) is [1-(2-chloro-4,6-dimethylphenyl)-3-(4,4-dimethylcyclohexyl)propoxy]-triethylsilane.
What is the SMILES notation for [1-(2-chloro-4,6-dimethylphenyl)-3-(4,4-dimethylcyclohexyl)propoxy]-triethylsilane?
The canonical SMILES for [1-(2-chloro-4,6-dimethylphenyl)-3-(4,4-dimethylcyclohexyl)propoxy]-triethylsilane is CC[Si](CC)(CC)OC(CCC1CCC(C)(C)CC1)c1c(C)cc(C)cc1Cl.
What is the InChIKey of [1-(2-chloro-4,6-dimethylphenyl)-3-(4,4-dimethylcyclohexyl)propoxy]-triethylsilane?
The InChIKey is BYUBDMJVFGDVHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H43ClOSi/c1-8-28(9-2,10-3)27-23(24-20(5)17-19(4)18-22(24)26)12-11-21-13-15-25(6,7)16-14-21/h17-18,21,23H,8-16H2,1-7H3.
What are the key properties of [1-(2-chloro-4,6-dimethylphenyl)-3-(4,4-dimethylcyclohexyl)propoxy]-triethylsilane?
[1-(2-chloro-4,6-dimethylphenyl)-3-(4,4-dimethylcyclohexyl)propoxy]-triethylsilane has a molecular weight of 423.16 g/mol, XLogP of 9.02, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-chloro-4,6-dimethylphenyl)-3-(4,4-dimethylcyclohexyl)propoxy]-triethylsilane is sourced from PubChem (CID 158762913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).