2-methoxy-5,5-dimethyl-1,3,2-dioxastibinane

C6H13O3Sb — CID 23262328

IUPAC2-methoxy-5,5-dimethyl-1,3,2-dioxastibinane
SMILESCO[Sb]1OCC(C)(C)CO1
InChIInChI=1S/C5H10O2.CH3O.Sb/c1-5(2,3-6)4-7;1-2;/h3-4H2,1-2H3;1H3;/q-2;-1;+3
InChIKeyMYCOEFQXTDMBMR-UHFFFAOYSA-N
MW254.93 g/mol
LogP0.69
Rot. Bonds1

About 2-methoxy-5,5-dimethyl-1,3,2-dioxastibinane

2-methoxy-5,5-dimethyl-1,3,2-dioxastibinane (PubChem CID 23262328) has the molecular formula C6H13O3Sb and a molecular weight of 254.93 g/mol. Its IUPAC name is 2-methoxy-5,5-dimethyl-1,3,2-dioxastibinane.

Molecular Properties

Compound Name2-methoxy-5,5-dimethyl-1,3,2-dioxastibinane
PubChem CID23262328
Molecular FormulaC6H13O3Sb
Molecular Weight254.93 g/mol
Exact Mass253.99
IUPAC Name2-methoxy-5,5-dimethyl-1,3,2-dioxastibinane
SMILESCO[Sb]1OCC(C)(C)CO1
InChIInChI=1S/C5H10O2.CH3O.Sb/c1-5(2,3-6)4-7;1-2;/h3-4H2,1-2H3;1H3;/q-2;-1;+3
InChIKeyMYCOEFQXTDMBMR-UHFFFAOYSA-N
XLogP0.69
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.93
LogP ≤ 50.69
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-methoxy-5,5-dimethyl-1,3,2-dioxastibinane?
The IUPAC name of 2-methoxy-5,5-dimethyl-1,3,2-dioxastibinane (CID 23262328) is 2-methoxy-5,5-dimethyl-1,3,2-dioxastibinane.
What is the SMILES notation for 2-methoxy-5,5-dimethyl-1,3,2-dioxastibinane?
The canonical SMILES for 2-methoxy-5,5-dimethyl-1,3,2-dioxastibinane is CO[Sb]1OCC(C)(C)CO1.
What is the InChIKey of 2-methoxy-5,5-dimethyl-1,3,2-dioxastibinane?
The InChIKey is MYCOEFQXTDMBMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O2.CH3O.Sb/c1-5(2,3-6)4-7;1-2;/h3-4H2,1-2H3;1H3;/q-2;-1;+3.
What are the key properties of 2-methoxy-5,5-dimethyl-1,3,2-dioxastibinane?
2-methoxy-5,5-dimethyl-1,3,2-dioxastibinane has a molecular weight of 254.93 g/mol, XLogP of 0.69, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5,5-dimethyl-1,3,2-dioxastibinane is sourced from PubChem (CID 23262328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).