2,4-dimethyl-6-[(2-methylpropan-2-yl)oxy]-4-tritiooxan-3-ol

C11H22O3 — CID 90222574

IUPAC2,4-dimethyl-6-[(2-methylpropan-2-yl)oxy]-4-tritiooxan-3-ol
SMILES[3H]C1(C)CC(OC(C)(C)C)OC(C)C1O
InChIInChI=1S/C11H22O3/c1-7-6-9(14-11(3,4)5)13-8(2)10(7)12/h7-10,12H,6H2,1-5H3/i7T
InChIKeyIWUIOWSVZQDATE-HKNMUYPKSA-N
MW204.30 g/mol
LogP1.93
Rot. Bonds1

About 2,4-dimethyl-6-[(2-methylpropan-2-yl)oxy]-4-tritiooxan-3-ol

2,4-dimethyl-6-[(2-methylpropan-2-yl)oxy]-4-tritiooxan-3-ol (PubChem CID 90222574) has the molecular formula C11H22O3 and a molecular weight of 204.30 g/mol. Its IUPAC name is 2,4-dimethyl-6-[(2-methylpropan-2-yl)oxy]-4-tritiooxan-3-ol.

Molecular Properties

Compound Name2,4-dimethyl-6-[(2-methylpropan-2-yl)oxy]-4-tritiooxan-3-ol
PubChem CID90222574
Molecular FormulaC11H22O3
Molecular Weight204.30 g/mol
Exact Mass204.17
IUPAC Name2,4-dimethyl-6-[(2-methylpropan-2-yl)oxy]-4-tritiooxan-3-ol
SMILES[3H]C1(C)CC(OC(C)(C)C)OC(C)C1O
InChIInChI=1S/C11H22O3/c1-7-6-9(14-11(3,4)5)13-8(2)10(7)12/h7-10,12H,6H2,1-5H3/i7T
InChIKeyIWUIOWSVZQDATE-HKNMUYPKSA-N
XLogP1.93
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.30
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-6-[(2-methylpropan-2-yl)oxy]-4-tritiooxan-3-ol?
The IUPAC name of 2,4-dimethyl-6-[(2-methylpropan-2-yl)oxy]-4-tritiooxan-3-ol (CID 90222574) is 2,4-dimethyl-6-[(2-methylpropan-2-yl)oxy]-4-tritiooxan-3-ol.
What is the SMILES notation for 2,4-dimethyl-6-[(2-methylpropan-2-yl)oxy]-4-tritiooxan-3-ol?
The canonical SMILES for 2,4-dimethyl-6-[(2-methylpropan-2-yl)oxy]-4-tritiooxan-3-ol is [3H]C1(C)CC(OC(C)(C)C)OC(C)C1O.
What is the InChIKey of 2,4-dimethyl-6-[(2-methylpropan-2-yl)oxy]-4-tritiooxan-3-ol?
The InChIKey is IWUIOWSVZQDATE-HKNMUYPKSA-N. The full InChI is InChI=1S/C11H22O3/c1-7-6-9(14-11(3,4)5)13-8(2)10(7)12/h7-10,12H,6H2,1-5H3/i7T.
What are the key properties of 2,4-dimethyl-6-[(2-methylpropan-2-yl)oxy]-4-tritiooxan-3-ol?
2,4-dimethyl-6-[(2-methylpropan-2-yl)oxy]-4-tritiooxan-3-ol has a molecular weight of 204.30 g/mol, XLogP of 1.93, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-6-[(2-methylpropan-2-yl)oxy]-4-tritiooxan-3-ol is sourced from PubChem (CID 90222574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).