2-(5,5-dimethyloxolan-3-yl)oxy-2-propan-2-yloxyethanol

C11H22O4 — CID 123899410

IUPAC2-(5,5-dimethyloxolan-3-yl)oxy-2-propan-2-yloxyethanol
SMILESCC(C)OC(CO)OC1COC(C)(C)C1
InChIInChI=1S/C11H22O4/c1-8(2)14-10(6-12)15-9-5-11(3,4)13-7-9/h8-10,12H,5-7H2,1-4H3
InChIKeyZVQHWSBKDRGRPX-UHFFFAOYSA-N
MW218.29 g/mol
LogP1.31
Rot. Bonds5

About 2-(5,5-dimethyloxolan-3-yl)oxy-2-propan-2-yloxyethanol

2-(5,5-dimethyloxolan-3-yl)oxy-2-propan-2-yloxyethanol (PubChem CID 123899410) has the molecular formula C11H22O4 and a molecular weight of 218.29 g/mol. Its IUPAC name is 2-(5,5-dimethyloxolan-3-yl)oxy-2-propan-2-yloxyethanol.

Molecular Properties

Compound Name2-(5,5-dimethyloxolan-3-yl)oxy-2-propan-2-yloxyethanol
PubChem CID123899410
Molecular FormulaC11H22O4
Molecular Weight218.29 g/mol
Exact Mass218.15
IUPAC Name2-(5,5-dimethyloxolan-3-yl)oxy-2-propan-2-yloxyethanol
SMILESCC(C)OC(CO)OC1COC(C)(C)C1
InChIInChI=1S/C11H22O4/c1-8(2)14-10(6-12)15-9-5-11(3,4)13-7-9/h8-10,12H,5-7H2,1-4H3
InChIKeyZVQHWSBKDRGRPX-UHFFFAOYSA-N
XLogP1.31
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.29
LogP ≤ 51.31
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-butan-2-yloxy-2-(5,5-dimethyloxolan-3-yl)oxyethanol
CID 123155516
[2-(5,5-dimethyloxolan-3-yl)oxy-2-methoxyethyl] formate
CID 126663287
3-(5,5-dimethyloxolan-3-yl)-2-methylbutan-1-ol
CID 91440624
(4R)-4-methoxy-2,2-dimethyloxolane
CID 118600677
[(3S)-5,5-dimethyloxolan-3-yl]methanol
CID 10796767
(5,5-dimethyloxolan-3-yl) ethanesulfonate
CID 172709984
(5-amino-2,2-dimethyloxan-4-yl)methanol
CID 162343129
2-methyl-1-(2,2,6,6-tetramethyl-4-propan-2-yloxypiperidin-1-yl)oxypropan-2-ol
CID 89209157
2,2-dimethyl-5-propan-2-yloxy-4-propyloxolane
CID 166173498
(4R)-2,2-dimethyl-4-(2-methylbutyl)oxolane
CID 175625697
2,2,6,6-tetramethyl-1-oxido-4-propan-2-yloxypiperidine
CID 141150714
4-[(2-fluorophenyl)methoxy]-2,2-dimethyloxolane
CID 21326643

Frequently Asked Questions

What is the IUPAC name of 2-(5,5-dimethyloxolan-3-yl)oxy-2-propan-2-yloxyethanol?
The IUPAC name of 2-(5,5-dimethyloxolan-3-yl)oxy-2-propan-2-yloxyethanol (CID 123899410) is 2-(5,5-dimethyloxolan-3-yl)oxy-2-propan-2-yloxyethanol.
What is the SMILES notation for 2-(5,5-dimethyloxolan-3-yl)oxy-2-propan-2-yloxyethanol?
The canonical SMILES for 2-(5,5-dimethyloxolan-3-yl)oxy-2-propan-2-yloxyethanol is CC(C)OC(CO)OC1COC(C)(C)C1.
What is the InChIKey of 2-(5,5-dimethyloxolan-3-yl)oxy-2-propan-2-yloxyethanol?
The InChIKey is ZVQHWSBKDRGRPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O4/c1-8(2)14-10(6-12)15-9-5-11(3,4)13-7-9/h8-10,12H,5-7H2,1-4H3.
What are the key properties of 2-(5,5-dimethyloxolan-3-yl)oxy-2-propan-2-yloxyethanol?
2-(5,5-dimethyloxolan-3-yl)oxy-2-propan-2-yloxyethanol has a molecular weight of 218.29 g/mol, XLogP of 1.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,5-dimethyloxolan-3-yl)oxy-2-propan-2-yloxyethanol is sourced from PubChem (CID 123899410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).