2,2-dimethyl-1-[3,4,5-tris[(2-methylpropan-2-yl)oxy]oxan-2-yl]propan-1-one

C22H42O5 — CID 172518040

IUPAC2,2-dimethyl-1-[3,4,5-tris[(2-methylpropan-2-yl)oxy]oxan-2-yl]propan-1-one
SMILESCC(C)(C)OC1COC(C(=O)C(C)(C)C)C(OC(C)(C)C)C1OC(C)(C)C
InChIInChI=1S/C22H42O5/c1-19(2,3)18(23)17-16(27-22(10,11)12)15(26-21(7,8)9)14(13-24-17)25-20(4,5)6/h14-17H,13H2,1-12H3
InChIKeyDIUPFJSQHZQHHL-UHFFFAOYSA-N
MW386.57 g/mol
LogP4.55
Rot. Bonds4

About 2,2-dimethyl-1-[3,4,5-tris[(2-methylpropan-2-yl)oxy]oxan-2-yl]propan-1-one

2,2-dimethyl-1-[3,4,5-tris[(2-methylpropan-2-yl)oxy]oxan-2-yl]propan-1-one (PubChem CID 172518040) has the molecular formula C22H42O5 and a molecular weight of 386.57 g/mol. Its IUPAC name is 2,2-dimethyl-1-[3,4,5-tris[(2-methylpropan-2-yl)oxy]oxan-2-yl]propan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-1-[3,4,5-tris[(2-methylpropan-2-yl)oxy]oxan-2-yl]propan-1-one
PubChem CID172518040
Molecular FormulaC22H42O5
Molecular Weight386.57 g/mol
Exact Mass386.30
IUPAC Name2,2-dimethyl-1-[3,4,5-tris[(2-methylpropan-2-yl)oxy]oxan-2-yl]propan-1-one
SMILESCC(C)(C)OC1COC(C(=O)C(C)(C)C)C(OC(C)(C)C)C1OC(C)(C)C
InChIInChI=1S/C22H42O5/c1-19(2,3)18(23)17-16(27-22(10,11)12)15(26-21(7,8)9)14(13-24-17)25-20(4,5)6/h14-17H,13H2,1-12H3
InChIKeyDIUPFJSQHZQHHL-UHFFFAOYSA-N
XLogP4.55
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.57
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2,2-dimethyl-1-[3,4,5-tris[(2-methylpropan-2-yl)oxy]oxan-2-yl]propan-1-one with MolForge

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Launch Full Analysis

Related Compounds

(2R,3R,6S)-6-tert-butyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methoxyoxan-4-one
CID 23253062
methyl (2S)-2-[(2S,6R)-6-[(2S)-2,3-dimethoxypropyl]-5,5-dimethyl-4-oxooxan-2-yl]-2-methoxyacetate
CID 23631395
1-[(3R,4R)-6-tert-butyl-3,4,5-trihydroxyoxan-2-yl]ethanone
CID 59762526
1-[(3R,4R,6S)-6-tert-butyl-3,4,5-trihydroxyoxan-2-yl]ethanone
CID 68173241
1-[(3R,6S)-6-tert-butyl-3,4,5-trihydroxyoxan-2-yl]ethanone
CID 68175786
1-(6-Tert-butyl-3,4,5-trihydroxyoxan-2-yl)ethanone
CID 72555290
2-methyl-1-[(2R,3R,4S,5S,6R)-3,4,5-tributoxy-6-(butoxymethyl)oxan-2-yl]propan-1-one
CID 118053811
2-(4-Ethoxy-4-methyl-3-oxopentan-2-yl)oxy-2,3,3,5,5,7-hexamethyl-7-(2-methyl-3-oxopentan-2-yl)oxynonan-4-one
CID 123626040
(3R,4S,5R,6R)-3,4,5-tris(10,10-dimethylundecoxy)-6-(10,10-dimethylundecoxymethyl)oxan-2-one
CID 150906387
1-[6-(2,2-Dimethylpropanoyl)-3,4,5-trihydroxyoxan-2-yl]-5,5-dimethylhexan-3-one
CID 164056655
2,2-Dimethyl-4,5,6,7,8-pentakis[(2-methylpropan-2-yl)oxy]octan-3-one
CID 169283744
2,2,9,9-Tetramethyl-4,5,6,7-tetrakis[(2-methylpropan-2-yl)oxy]decane-3,8-dione
CID 169283748

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-[3,4,5-tris[(2-methylpropan-2-yl)oxy]oxan-2-yl]propan-1-one?
The IUPAC name of 2,2-dimethyl-1-[3,4,5-tris[(2-methylpropan-2-yl)oxy]oxan-2-yl]propan-1-one (CID 172518040) is 2,2-dimethyl-1-[3,4,5-tris[(2-methylpropan-2-yl)oxy]oxan-2-yl]propan-1-one.
What is the SMILES notation for 2,2-dimethyl-1-[3,4,5-tris[(2-methylpropan-2-yl)oxy]oxan-2-yl]propan-1-one?
The canonical SMILES for 2,2-dimethyl-1-[3,4,5-tris[(2-methylpropan-2-yl)oxy]oxan-2-yl]propan-1-one is CC(C)(C)OC1COC(C(=O)C(C)(C)C)C(OC(C)(C)C)C1OC(C)(C)C.
What is the InChIKey of 2,2-dimethyl-1-[3,4,5-tris[(2-methylpropan-2-yl)oxy]oxan-2-yl]propan-1-one?
The InChIKey is DIUPFJSQHZQHHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H42O5/c1-19(2,3)18(23)17-16(27-22(10,11)12)15(26-21(7,8)9)14(13-24-17)25-20(4,5)6/h14-17H,13H2,1-12H3.
What are the key properties of 2,2-dimethyl-1-[3,4,5-tris[(2-methylpropan-2-yl)oxy]oxan-2-yl]propan-1-one?
2,2-dimethyl-1-[3,4,5-tris[(2-methylpropan-2-yl)oxy]oxan-2-yl]propan-1-one has a molecular weight of 386.57 g/mol, XLogP of 4.55, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-[3,4,5-tris[(2-methylpropan-2-yl)oxy]oxan-2-yl]propan-1-one is sourced from PubChem (CID 172518040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).