chloro-methyl-(5-methyl-2-propan-2-ylcyclohexyl)oxy-phenylsilane

C17H27ClOSi — CID 614386

IUPACchloro-methyl-(5-methyl-2-propan-2-ylcyclohexyl)oxy-phenylsilane
SMILESCC1CCC(C(C)C)C(O[Si](C)(Cl)c2ccccc2)C1
InChIInChI=1S/C17H27ClOSi/c1-13(2)16-11-10-14(3)12-17(16)19-20(4,18)15-8-6-5-7-9-15/h5-9,13-14,16-17H,10-12H2,1-4H3
InChIKeyMCUNIUQISNGYBE-UHFFFAOYSA-N
MW310.94 g/mol
LogP4.68
Rot. Bonds4

About chloro-methyl-(5-methyl-2-propan-2-ylcyclohexyl)oxy-phenylsilane

chloro-methyl-(5-methyl-2-propan-2-ylcyclohexyl)oxy-phenylsilane (PubChem CID 614386) has the molecular formula C17H27ClOSi and a molecular weight of 310.94 g/mol. Its IUPAC name is chloro-methyl-(5-methyl-2-propan-2-ylcyclohexyl)oxy-phenylsilane.

Molecular Properties

Compound Namechloro-methyl-(5-methyl-2-propan-2-ylcyclohexyl)oxy-phenylsilane
PubChem CID614386
Molecular FormulaC17H27ClOSi
Molecular Weight310.94 g/mol
Exact Mass310.15
IUPAC Namechloro-methyl-(5-methyl-2-propan-2-ylcyclohexyl)oxy-phenylsilane
SMILESCC1CCC(C(C)C)C(O[Si](C)(Cl)c2ccccc2)C1
InChIInChI=1S/C17H27ClOSi/c1-13(2)16-11-10-14(3)12-17(16)19-20(4,18)15-8-6-5-7-9-15/h5-9,13-14,16-17H,10-12H2,1-4H3
InChIKeyMCUNIUQISNGYBE-UHFFFAOYSA-N
XLogP4.68
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.94
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of chloro-methyl-(5-methyl-2-propan-2-ylcyclohexyl)oxy-phenylsilane?
The IUPAC name of chloro-methyl-(5-methyl-2-propan-2-ylcyclohexyl)oxy-phenylsilane (CID 614386) is chloro-methyl-(5-methyl-2-propan-2-ylcyclohexyl)oxy-phenylsilane.
What is the SMILES notation for chloro-methyl-(5-methyl-2-propan-2-ylcyclohexyl)oxy-phenylsilane?
The canonical SMILES for chloro-methyl-(5-methyl-2-propan-2-ylcyclohexyl)oxy-phenylsilane is CC1CCC(C(C)C)C(O[Si](C)(Cl)c2ccccc2)C1.
What is the InChIKey of chloro-methyl-(5-methyl-2-propan-2-ylcyclohexyl)oxy-phenylsilane?
The InChIKey is MCUNIUQISNGYBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27ClOSi/c1-13(2)16-11-10-14(3)12-17(16)19-20(4,18)15-8-6-5-7-9-15/h5-9,13-14,16-17H,10-12H2,1-4H3.
What are the key properties of chloro-methyl-(5-methyl-2-propan-2-ylcyclohexyl)oxy-phenylsilane?
chloro-methyl-(5-methyl-2-propan-2-ylcyclohexyl)oxy-phenylsilane has a molecular weight of 310.94 g/mol, XLogP of 4.68, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-methyl-(5-methyl-2-propan-2-ylcyclohexyl)oxy-phenylsilane is sourced from PubChem (CID 614386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).