4,4,6-trimethyl-2-[(2-methylpropan-2-yl)oxy]-1,3,2-dioxastibinane

C10H21O3Sb — CID 86101784

IUPAC4,4,6-trimethyl-2-[(2-methylpropan-2-yl)oxy]-1,3,2-dioxastibinane
SMILESCC1CC(C)(C)O[Sb](OC(C)(C)C)O1
InChIInChI=1S/C6H12O2.C4H9O.Sb/c1-5(7)4-6(2,3)8;1-4(2,3)5;/h5H,4H2,1-3H3;1-3H3;/q-2;-1;+3
InChIKeyBDMKTIDJDYONJW-UHFFFAOYSA-N
MW311.04 g/mol
LogP2.39
Rot. Bonds1

About 4,4,6-trimethyl-2-[(2-methylpropan-2-yl)oxy]-1,3,2-dioxastibinane

4,4,6-trimethyl-2-[(2-methylpropan-2-yl)oxy]-1,3,2-dioxastibinane (PubChem CID 86101784) has the molecular formula C10H21O3Sb and a molecular weight of 311.04 g/mol. Its IUPAC name is 4,4,6-trimethyl-2-[(2-methylpropan-2-yl)oxy]-1,3,2-dioxastibinane.

Molecular Properties

Compound Name4,4,6-trimethyl-2-[(2-methylpropan-2-yl)oxy]-1,3,2-dioxastibinane
PubChem CID86101784
Molecular FormulaC10H21O3Sb
Molecular Weight311.04 g/mol
Exact Mass310.05
IUPAC Name4,4,6-trimethyl-2-[(2-methylpropan-2-yl)oxy]-1,3,2-dioxastibinane
SMILESCC1CC(C)(C)O[Sb](OC(C)(C)C)O1
InChIInChI=1S/C6H12O2.C4H9O.Sb/c1-5(7)4-6(2,3)8;1-4(2,3)5;/h5H,4H2,1-3H3;1-3H3;/q-2;-1;+3
InChIKeyBDMKTIDJDYONJW-UHFFFAOYSA-N
XLogP2.39
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.04
LogP ≤ 52.39
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 4,4,6-trimethyl-2-[(2-methylpropan-2-yl)oxy]-1,3,2-dioxastibinane?
The IUPAC name of 4,4,6-trimethyl-2-[(2-methylpropan-2-yl)oxy]-1,3,2-dioxastibinane (CID 86101784) is 4,4,6-trimethyl-2-[(2-methylpropan-2-yl)oxy]-1,3,2-dioxastibinane.
What is the SMILES notation for 4,4,6-trimethyl-2-[(2-methylpropan-2-yl)oxy]-1,3,2-dioxastibinane?
The canonical SMILES for 4,4,6-trimethyl-2-[(2-methylpropan-2-yl)oxy]-1,3,2-dioxastibinane is CC1CC(C)(C)O[Sb](OC(C)(C)C)O1.
What is the InChIKey of 4,4,6-trimethyl-2-[(2-methylpropan-2-yl)oxy]-1,3,2-dioxastibinane?
The InChIKey is BDMKTIDJDYONJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O2.C4H9O.Sb/c1-5(7)4-6(2,3)8;1-4(2,3)5;/h5H,4H2,1-3H3;1-3H3;/q-2;-1;+3.
What are the key properties of 4,4,6-trimethyl-2-[(2-methylpropan-2-yl)oxy]-1,3,2-dioxastibinane?
4,4,6-trimethyl-2-[(2-methylpropan-2-yl)oxy]-1,3,2-dioxastibinane has a molecular weight of 311.04 g/mol, XLogP of 2.39, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,6-trimethyl-2-[(2-methylpropan-2-yl)oxy]-1,3,2-dioxastibinane is sourced from PubChem (CID 86101784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).