2,2,6-trimethoxy-6-(1-methylcyclohexyl)oxasilinane

C14H28O4Si — CID 174755328

IUPAC2,2,6-trimethoxy-6-(1-methylcyclohexyl)oxasilinane
SMILESCOC1(C2(C)CCCCC2)CCC[Si](OC)(OC)O1
InChIInChI=1S/C14H28O4Si/c1-13(9-6-5-7-10-13)14(15-2)11-8-12-19(16-3,17-4)18-14/h5-12H2,1-4H3
InChIKeyRAZCAEJVLTZFIY-UHFFFAOYSA-N
MW288.46 g/mol
LogP3.34
Rot. Bonds4

About 2,2,6-trimethoxy-6-(1-methylcyclohexyl)oxasilinane

2,2,6-trimethoxy-6-(1-methylcyclohexyl)oxasilinane (PubChem CID 174755328) has the molecular formula C14H28O4Si and a molecular weight of 288.46 g/mol. Its IUPAC name is 2,2,6-trimethoxy-6-(1-methylcyclohexyl)oxasilinane.

Molecular Properties

Compound Name2,2,6-trimethoxy-6-(1-methylcyclohexyl)oxasilinane
PubChem CID174755328
Molecular FormulaC14H28O4Si
Molecular Weight288.46 g/mol
Exact Mass288.18
IUPAC Name2,2,6-trimethoxy-6-(1-methylcyclohexyl)oxasilinane
SMILESCOC1(C2(C)CCCCC2)CCC[Si](OC)(OC)O1
InChIInChI=1S/C14H28O4Si/c1-13(9-6-5-7-10-13)14(15-2)11-8-12-19(16-3,17-4)18-14/h5-12H2,1-4H3
InChIKeyRAZCAEJVLTZFIY-UHFFFAOYSA-N
XLogP3.34
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 2,2,6-trimethoxy-6-(1-methylcyclohexyl)oxasilinane?
The IUPAC name of 2,2,6-trimethoxy-6-(1-methylcyclohexyl)oxasilinane (CID 174755328) is 2,2,6-trimethoxy-6-(1-methylcyclohexyl)oxasilinane.
What is the SMILES notation for 2,2,6-trimethoxy-6-(1-methylcyclohexyl)oxasilinane?
The canonical SMILES for 2,2,6-trimethoxy-6-(1-methylcyclohexyl)oxasilinane is COC1(C2(C)CCCCC2)CCC[Si](OC)(OC)O1.
What is the InChIKey of 2,2,6-trimethoxy-6-(1-methylcyclohexyl)oxasilinane?
The InChIKey is RAZCAEJVLTZFIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O4Si/c1-13(9-6-5-7-10-13)14(15-2)11-8-12-19(16-3,17-4)18-14/h5-12H2,1-4H3.
What are the key properties of 2,2,6-trimethoxy-6-(1-methylcyclohexyl)oxasilinane?
2,2,6-trimethoxy-6-(1-methylcyclohexyl)oxasilinane has a molecular weight of 288.46 g/mol, XLogP of 3.34, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,6-trimethoxy-6-(1-methylcyclohexyl)oxasilinane is sourced from PubChem (CID 174755328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).