3-[(4S,6R)-2-methoxy-4,6-dimethyl-1,3,2-dioxasilinan-2-yl]propyl-trimethylazanium

C12H28NO3Si+ — CID 134943499

IUPAC3-[(4S,6R)-2-methoxy-4,6-dimethyl-1,3,2-dioxasilinan-2-yl]propyl-trimethylazanium
SMILESCO[Si]1(CCC[N+](C)(C)C)O[C@H](C)C[C@H](C)O1
InChIInChI=1S/C12H28NO3Si/c1-11-10-12(2)16-17(14-6,15-11)9-7-8-13(3,4)5/h11-12H,7-10H2,1-6H3/q+1/t11-,12+,17?
InChIKeyACIZIEJSGUEJIY-GTKHYJCHSA-N
MW262.45 g/mol
LogP1.88
Rot. Bonds5

About 3-[(4S,6R)-2-methoxy-4,6-dimethyl-1,3,2-dioxasilinan-2-yl]propyl-trimethylazanium

3-[(4S,6R)-2-methoxy-4,6-dimethyl-1,3,2-dioxasilinan-2-yl]propyl-trimethylazanium (PubChem CID 134943499) has the molecular formula C12H28NO3Si+ and a molecular weight of 262.45 g/mol. Its IUPAC name is 3-[(4S,6R)-2-methoxy-4,6-dimethyl-1,3,2-dioxasilinan-2-yl]propyl-trimethylazanium.

Molecular Properties

Compound Name3-[(4S,6R)-2-methoxy-4,6-dimethyl-1,3,2-dioxasilinan-2-yl]propyl-trimethylazanium
PubChem CID134943499
Molecular FormulaC12H28NO3Si+
Molecular Weight262.45 g/mol
Exact Mass262.18
IUPAC Name3-[(4S,6R)-2-methoxy-4,6-dimethyl-1,3,2-dioxasilinan-2-yl]propyl-trimethylazanium
SMILESCO[Si]1(CCC[N+](C)(C)C)O[C@H](C)C[C@H](C)O1
InChIInChI=1S/C12H28NO3Si/c1-11-10-12(2)16-17(14-6,15-11)9-7-8-13(3,4)5/h11-12H,7-10H2,1-6H3/q+1/t11-,12+,17?
InChIKeyACIZIEJSGUEJIY-GTKHYJCHSA-N
XLogP1.88
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.45
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(4S,6R)-2-methoxy-4,6-dimethyl-1,3,2-dioxasilinan-2-yl]propyl-trimethylazanium?
The IUPAC name of 3-[(4S,6R)-2-methoxy-4,6-dimethyl-1,3,2-dioxasilinan-2-yl]propyl-trimethylazanium (CID 134943499) is 3-[(4S,6R)-2-methoxy-4,6-dimethyl-1,3,2-dioxasilinan-2-yl]propyl-trimethylazanium.
What is the SMILES notation for 3-[(4S,6R)-2-methoxy-4,6-dimethyl-1,3,2-dioxasilinan-2-yl]propyl-trimethylazanium?
The canonical SMILES for 3-[(4S,6R)-2-methoxy-4,6-dimethyl-1,3,2-dioxasilinan-2-yl]propyl-trimethylazanium is CO[Si]1(CCC[N+](C)(C)C)O[C@H](C)C[C@H](C)O1.
What is the InChIKey of 3-[(4S,6R)-2-methoxy-4,6-dimethyl-1,3,2-dioxasilinan-2-yl]propyl-trimethylazanium?
The InChIKey is ACIZIEJSGUEJIY-GTKHYJCHSA-N. The full InChI is InChI=1S/C12H28NO3Si/c1-11-10-12(2)16-17(14-6,15-11)9-7-8-13(3,4)5/h11-12H,7-10H2,1-6H3/q+1/t11-,12+,17?.
What are the key properties of 3-[(4S,6R)-2-methoxy-4,6-dimethyl-1,3,2-dioxasilinan-2-yl]propyl-trimethylazanium?
3-[(4S,6R)-2-methoxy-4,6-dimethyl-1,3,2-dioxasilinan-2-yl]propyl-trimethylazanium has a molecular weight of 262.45 g/mol, XLogP of 1.88, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4S,6R)-2-methoxy-4,6-dimethyl-1,3,2-dioxasilinan-2-yl]propyl-trimethylazanium is sourced from PubChem (CID 134943499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).