2-butan-2-yloxy-2-(5,5-dimethyloxolan-3-yl)oxyethanol

C12H24O4 — CID 123155516

IUPAC2-butan-2-yloxy-2-(5,5-dimethyloxolan-3-yl)oxyethanol
SMILESCCC(C)OC(CO)OC1COC(C)(C)C1
InChIInChI=1S/C12H24O4/c1-5-9(2)15-11(7-13)16-10-6-12(3,4)14-8-10/h9-11,13H,5-8H2,1-4H3
InChIKeyBRQDVFQELIYIFF-UHFFFAOYSA-N
MW232.32 g/mol
LogP1.70
Rot. Bonds6

About 2-butan-2-yloxy-2-(5,5-dimethyloxolan-3-yl)oxyethanol

2-butan-2-yloxy-2-(5,5-dimethyloxolan-3-yl)oxyethanol (PubChem CID 123155516) has the molecular formula C12H24O4 and a molecular weight of 232.32 g/mol. Its IUPAC name is 2-butan-2-yloxy-2-(5,5-dimethyloxolan-3-yl)oxyethanol.

Molecular Properties

Compound Name2-butan-2-yloxy-2-(5,5-dimethyloxolan-3-yl)oxyethanol
PubChem CID123155516
Molecular FormulaC12H24O4
Molecular Weight232.32 g/mol
Exact Mass232.17
IUPAC Name2-butan-2-yloxy-2-(5,5-dimethyloxolan-3-yl)oxyethanol
SMILESCCC(C)OC(CO)OC1COC(C)(C)C1
InChIInChI=1S/C12H24O4/c1-5-9(2)15-11(7-13)16-10-6-12(3,4)14-8-10/h9-11,13H,5-8H2,1-4H3
InChIKeyBRQDVFQELIYIFF-UHFFFAOYSA-N
XLogP1.70
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-(5,5-dimethyloxolan-3-yl)oxy-2-propan-2-yloxyethanol
CID 123899410
[2-(5,5-dimethyloxolan-3-yl)oxy-2-methoxyethyl] formate
CID 126663287
(4R)-4-methoxy-2,2-dimethyloxolane
CID 118600677
3-(5,5-dimethyloxolan-3-yl)-2-methylbutan-1-ol
CID 91440624
(5,5-dimethyloxolan-3-yl) ethanesulfonate
CID 172709984
2-butan-2-yloxypropan-1-ol;fluoromethane
CID 145107348
2-butan-2-yloxybutane;ethanol
CID 88614162
(4R)-2,2-dimethyl-4-(2-methylbutyl)oxolane
CID 175625697
[(3S)-5,5-dimethyloxolan-3-yl]methanol
CID 10796767
1-(4-butan-2-yloxy-2,2,6,6-tetramethylpiperidin-1-yl)oxy-2-methylpropan-2-ol
CID 89208992
(5-amino-2,2-dimethyloxan-4-yl)methanol
CID 162343129
O-[(5,5-dimethyloxolan-3-yl)methyl] propanethioate
CID 167102790

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yloxy-2-(5,5-dimethyloxolan-3-yl)oxyethanol?
The IUPAC name of 2-butan-2-yloxy-2-(5,5-dimethyloxolan-3-yl)oxyethanol (CID 123155516) is 2-butan-2-yloxy-2-(5,5-dimethyloxolan-3-yl)oxyethanol.
What is the SMILES notation for 2-butan-2-yloxy-2-(5,5-dimethyloxolan-3-yl)oxyethanol?
The canonical SMILES for 2-butan-2-yloxy-2-(5,5-dimethyloxolan-3-yl)oxyethanol is CCC(C)OC(CO)OC1COC(C)(C)C1.
What is the InChIKey of 2-butan-2-yloxy-2-(5,5-dimethyloxolan-3-yl)oxyethanol?
The InChIKey is BRQDVFQELIYIFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O4/c1-5-9(2)15-11(7-13)16-10-6-12(3,4)14-8-10/h9-11,13H,5-8H2,1-4H3.
What are the key properties of 2-butan-2-yloxy-2-(5,5-dimethyloxolan-3-yl)oxyethanol?
2-butan-2-yloxy-2-(5,5-dimethyloxolan-3-yl)oxyethanol has a molecular weight of 232.32 g/mol, XLogP of 1.70, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yloxy-2-(5,5-dimethyloxolan-3-yl)oxyethanol is sourced from PubChem (CID 123155516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).