2-(2,2-dimethylpropyl)oxolane-3,4-diol

C9H18O3 — CID 20732647

IUPAC2-(2,2-dimethylpropyl)oxolane-3,4-diol
SMILESCC(C)(C)CC1OCC(O)C1O
InChIInChI=1S/C9H18O3/c1-9(2,3)4-7-8(11)6(10)5-12-7/h6-8,10-11H,4-5H2,1-3H3
InChIKeyAILKMSNRWWMXML-UHFFFAOYSA-N
MW174.24 g/mol
LogP0.54
Rot. Bonds1

About 2-(2,2-dimethylpropyl)oxolane-3,4-diol

2-(2,2-dimethylpropyl)oxolane-3,4-diol (PubChem CID 20732647) has the molecular formula C9H18O3 and a molecular weight of 174.24 g/mol. Its IUPAC name is 2-(2,2-dimethylpropyl)oxolane-3,4-diol.

Molecular Properties

Compound Name2-(2,2-dimethylpropyl)oxolane-3,4-diol
PubChem CID20732647
Molecular FormulaC9H18O3
Molecular Weight174.24 g/mol
Exact Mass174.13
IUPAC Name2-(2,2-dimethylpropyl)oxolane-3,4-diol
SMILESCC(C)(C)CC1OCC(O)C1O
InChIInChI=1S/C9H18O3/c1-9(2,3)4-7-8(11)6(10)5-12-7/h6-8,10-11H,4-5H2,1-3H3
InChIKeyAILKMSNRWWMXML-UHFFFAOYSA-N
XLogP0.54
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,3S,4R)-2-(2,2-dimethylpropyl)oxolane-3,4-diol
CID 157122722
ethane;2-(hydroxymethyl)oxolane-3,4-diol
CID 168985261
(2S,3R,4R)-2-(fluoromethyl)oxolane-3,4-diol
CID 126601824
(2S,3R,4S,5S)-2-ethyloxane-3,4,5-triol
CID 134180059
(2R,4R,5S)-2-ethyloxane-3,4,5-triol
CID 121360500
[2-[(2R,3S,4S)-3,4-dihydroxyoxolan-2-yl]-1,1-difluoroethyl]phosphonic acid
CID 173216740
(2R,3S,4S)-2-(2-methylbutan-2-yloxymethyl)oxolane-3,4-diol
CID 71098630
(2R,3S,4S)-2-(2-hydroxyethyl)oxolane-3,4-diol
CID 131000812
(2S,3R,4R,5R)-2-(hydroxymethyl)oxane-3,4,5-triol
CID 6102335
(3R,4R)-2-(hydroxymethyl)oxane-3,4,5-triol
CID 59922885
(2R,3S,4S)-2-(hydroxymethyl)oxolane-3,4-diol;methanesulfonic acid
CID 173247961
(2S,3R,4R,5S)-2-(chloromethyl)oxane-3,4,5-triol
CID 18632305

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpropyl)oxolane-3,4-diol?
The IUPAC name of 2-(2,2-dimethylpropyl)oxolane-3,4-diol (CID 20732647) is 2-(2,2-dimethylpropyl)oxolane-3,4-diol.
What is the SMILES notation for 2-(2,2-dimethylpropyl)oxolane-3,4-diol?
The canonical SMILES for 2-(2,2-dimethylpropyl)oxolane-3,4-diol is CC(C)(C)CC1OCC(O)C1O.
What is the InChIKey of 2-(2,2-dimethylpropyl)oxolane-3,4-diol?
The InChIKey is AILKMSNRWWMXML-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O3/c1-9(2,3)4-7-8(11)6(10)5-12-7/h6-8,10-11H,4-5H2,1-3H3.
What are the key properties of 2-(2,2-dimethylpropyl)oxolane-3,4-diol?
2-(2,2-dimethylpropyl)oxolane-3,4-diol has a molecular weight of 174.24 g/mol, XLogP of 0.54, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpropyl)oxolane-3,4-diol is sourced from PubChem (CID 20732647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).