2-[1-(dimethylamino)-2-methylpropan-2-yl]oxypropan-2-ylthallium

C9H20NOTl — CID 143143505

IUPAC2-[1-(dimethylamino)-2-methylpropan-2-yl]oxypropan-2-ylthallium
SMILESCN(C)CC(C)(C)OC(C)(C)[Tl]
InChIInChI=1S/C9H20NO.Tl/c1-8(2)11-9(3,4)7-10(5)6;/h7H2,1-6H3;
InChIKeyUNDVIZJTZIXBCL-UHFFFAOYSA-N
MW362.65 g/mol
LogP1.25
Rot. Bonds4

About 2-[1-(dimethylamino)-2-methylpropan-2-yl]oxypropan-2-ylthallium

2-[1-(dimethylamino)-2-methylpropan-2-yl]oxypropan-2-ylthallium (PubChem CID 143143505) has the molecular formula C9H20NOTl and a molecular weight of 362.65 g/mol. Its IUPAC name is 2-[1-(dimethylamino)-2-methylpropan-2-yl]oxypropan-2-ylthallium.

Molecular Properties

Compound Name2-[1-(dimethylamino)-2-methylpropan-2-yl]oxypropan-2-ylthallium
PubChem CID143143505
Molecular FormulaC9H20NOTl
Molecular Weight362.65 g/mol
Exact Mass363.13
IUPAC Name2-[1-(dimethylamino)-2-methylpropan-2-yl]oxypropan-2-ylthallium
SMILESCN(C)CC(C)(C)OC(C)(C)[Tl]
InChIInChI=1S/C9H20NO.Tl/c1-8(2)11-9(3,4)7-10(5)6;/h7H2,1-6H3;
InChIKeyUNDVIZJTZIXBCL-UHFFFAOYSA-N
XLogP1.25
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.65
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(dimethylamino)-2-methylpropan-2-yl]oxypropan-2-ylthallium?
The IUPAC name of 2-[1-(dimethylamino)-2-methylpropan-2-yl]oxypropan-2-ylthallium (CID 143143505) is 2-[1-(dimethylamino)-2-methylpropan-2-yl]oxypropan-2-ylthallium.
What is the SMILES notation for 2-[1-(dimethylamino)-2-methylpropan-2-yl]oxypropan-2-ylthallium?
The canonical SMILES for 2-[1-(dimethylamino)-2-methylpropan-2-yl]oxypropan-2-ylthallium is CN(C)CC(C)(C)OC(C)(C)[Tl].
What is the InChIKey of 2-[1-(dimethylamino)-2-methylpropan-2-yl]oxypropan-2-ylthallium?
The InChIKey is UNDVIZJTZIXBCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20NO.Tl/c1-8(2)11-9(3,4)7-10(5)6;/h7H2,1-6H3;.
What are the key properties of 2-[1-(dimethylamino)-2-methylpropan-2-yl]oxypropan-2-ylthallium?
2-[1-(dimethylamino)-2-methylpropan-2-yl]oxypropan-2-ylthallium has a molecular weight of 362.65 g/mol, XLogP of 1.25, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(dimethylamino)-2-methylpropan-2-yl]oxypropan-2-ylthallium is sourced from PubChem (CID 143143505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).