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

C13H26O3Si — CID 174437303

IUPAC2,2-dimethoxy-6-(1-methylcyclohexyl)oxasilinane
SMILESCO[Si]1(OC)CCCC(C2(C)CCCCC2)O1
InChIInChI=1S/C13H26O3Si/c1-13(9-5-4-6-10-13)12-8-7-11-17(14-2,15-3)16-12/h12H,4-11H2,1-3H3
InChIKeyMOKXMPFCOHYDLI-UHFFFAOYSA-N
MW258.43 g/mol
LogP3.37
Rot. Bonds3

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

2,2-dimethoxy-6-(1-methylcyclohexyl)oxasilinane (PubChem CID 174437303) has the molecular formula C13H26O3Si and a molecular weight of 258.43 g/mol. Its IUPAC name is 2,2-dimethoxy-6-(1-methylcyclohexyl)oxasilinane.

Molecular Properties

Compound Name2,2-dimethoxy-6-(1-methylcyclohexyl)oxasilinane
PubChem CID174437303
Molecular FormulaC13H26O3Si
Molecular Weight258.43 g/mol
Exact Mass258.17
IUPAC Name2,2-dimethoxy-6-(1-methylcyclohexyl)oxasilinane
SMILESCO[Si]1(OC)CCCC(C2(C)CCCCC2)O1
InChIInChI=1S/C13H26O3Si/c1-13(9-5-4-6-10-13)12-8-7-11-17(14-2,15-3)16-12/h12H,4-11H2,1-3H3
InChIKeyMOKXMPFCOHYDLI-UHFFFAOYSA-N
XLogP3.37
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.43
LogP ≤ 53.37
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 2,2-dimethoxy-6-(1-methylcyclohexyl)oxasilinane?
The IUPAC name of 2,2-dimethoxy-6-(1-methylcyclohexyl)oxasilinane (CID 174437303) is 2,2-dimethoxy-6-(1-methylcyclohexyl)oxasilinane.
What is the SMILES notation for 2,2-dimethoxy-6-(1-methylcyclohexyl)oxasilinane?
The canonical SMILES for 2,2-dimethoxy-6-(1-methylcyclohexyl)oxasilinane is CO[Si]1(OC)CCCC(C2(C)CCCCC2)O1.
What is the InChIKey of 2,2-dimethoxy-6-(1-methylcyclohexyl)oxasilinane?
The InChIKey is MOKXMPFCOHYDLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O3Si/c1-13(9-5-4-6-10-13)12-8-7-11-17(14-2,15-3)16-12/h12H,4-11H2,1-3H3.
What are the key properties of 2,2-dimethoxy-6-(1-methylcyclohexyl)oxasilinane?
2,2-dimethoxy-6-(1-methylcyclohexyl)oxasilinane has a molecular weight of 258.43 g/mol, XLogP of 3.37, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethoxy-6-(1-methylcyclohexyl)oxasilinane is sourced from PubChem (CID 174437303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).