methyl-tris[(1-methylcyclohexyl)oxy]silane

C22H42O3Si — CID 22098116

IUPACmethyl-tris[(1-methylcyclohexyl)oxy]silane
SMILESCC1(O[Si](C)(OC2(C)CCCCC2)OC2(C)CCCCC2)CCCCC1
InChIInChI=1S/C22H42O3Si/c1-20(14-8-5-9-15-20)23-26(4,24-21(2)16-10-6-11-17-21)25-22(3)18-12-7-13-19-22/h5-19H2,1-4H3
InChIKeyAFODSMCSHNAFBA-UHFFFAOYSA-N
MW382.66 g/mol
LogP6.77
Rot. Bonds6

About methyl-tris[(1-methylcyclohexyl)oxy]silane

methyl-tris[(1-methylcyclohexyl)oxy]silane (PubChem CID 22098116) has the molecular formula C22H42O3Si and a molecular weight of 382.66 g/mol. Its IUPAC name is methyl-tris[(1-methylcyclohexyl)oxy]silane.

Molecular Properties

Compound Namemethyl-tris[(1-methylcyclohexyl)oxy]silane
PubChem CID22098116
Molecular FormulaC22H42O3Si
Molecular Weight382.66 g/mol
Exact Mass382.29
IUPAC Namemethyl-tris[(1-methylcyclohexyl)oxy]silane
SMILESCC1(O[Si](C)(OC2(C)CCCCC2)OC2(C)CCCCC2)CCCCC1
InChIInChI=1S/C22H42O3Si/c1-20(14-8-5-9-15-20)23-26(4,24-21(2)16-10-6-11-17-21)25-22(3)18-12-7-13-19-22/h5-19H2,1-4H3
InChIKeyAFODSMCSHNAFBA-UHFFFAOYSA-N
XLogP6.77
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.66
LogP ≤ 56.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 methyl-tris[(1-methylcyclohexyl)oxy]silane?
The IUPAC name of methyl-tris[(1-methylcyclohexyl)oxy]silane (CID 22098116) is methyl-tris[(1-methylcyclohexyl)oxy]silane.
What is the SMILES notation for methyl-tris[(1-methylcyclohexyl)oxy]silane?
The canonical SMILES for methyl-tris[(1-methylcyclohexyl)oxy]silane is CC1(O[Si](C)(OC2(C)CCCCC2)OC2(C)CCCCC2)CCCCC1.
What is the InChIKey of methyl-tris[(1-methylcyclohexyl)oxy]silane?
The InChIKey is AFODSMCSHNAFBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H42O3Si/c1-20(14-8-5-9-15-20)23-26(4,24-21(2)16-10-6-11-17-21)25-22(3)18-12-7-13-19-22/h5-19H2,1-4H3.
What are the key properties of methyl-tris[(1-methylcyclohexyl)oxy]silane?
methyl-tris[(1-methylcyclohexyl)oxy]silane has a molecular weight of 382.66 g/mol, XLogP of 6.77, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-tris[(1-methylcyclohexyl)oxy]silane is sourced from PubChem (CID 22098116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).