5-(1-hydroxypropan-2-yl)oxolan-3-ol

C7H14O3 — CID 20778564

IUPAC5-(1-hydroxypropan-2-yl)oxolan-3-ol
SMILESCC(CO)C1CC(O)CO1
InChIInChI=1S/C7H14O3/c1-5(3-8)7-2-6(9)4-10-7/h5-9H,2-4H2,1H3
InChIKeyJEBFYMQGQKZADK-UHFFFAOYSA-N
MW146.19 g/mol
LogP-0.24
Rot. Bonds2

About 5-(1-hydroxypropan-2-yl)oxolan-3-ol

5-(1-hydroxypropan-2-yl)oxolan-3-ol (PubChem CID 20778564) has the molecular formula C7H14O3 and a molecular weight of 146.19 g/mol. Its IUPAC name is 5-(1-hydroxypropan-2-yl)oxolan-3-ol.

Molecular Properties

Compound Name5-(1-hydroxypropan-2-yl)oxolan-3-ol
PubChem CID20778564
Molecular FormulaC7H14O3
Molecular Weight146.19 g/mol
Exact Mass146.09
IUPAC Name5-(1-hydroxypropan-2-yl)oxolan-3-ol
SMILESCC(CO)C1CC(O)CO1
InChIInChI=1S/C7H14O3/c1-5(3-8)7-2-6(9)4-10-7/h5-9H,2-4H2,1H3
InChIKeyJEBFYMQGQKZADK-UHFFFAOYSA-N
XLogP-0.24
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S,5S)-5-[(1R)-1-hydroxy-2-methoxyethyl]oxolan-3-ol
CID 154474298
2-(oxiran-2-yl)propane-1,3-diol
CID 18506434
(2S)-2-[(2R)-oxan-2-yl]propan-1-ol
CID 102227489
(2R)-2-[(2R)-oxan-2-yl]propan-1-ol
CID 124662505
(3R,4S,5R)-5-[(2R)-1-hydroxypropan-2-yl]-4-methyloxolan-3-ol
CID 10441964
(3R,5S)-5-(hydroxymethyl)oxolan-3-ol
CID 5289103
6-(hydroxymethyl)-5-methyloxan-3-ol
CID 123248394
(3R,5R)-5-tert-butyloxolan-3-ol
CID 129415600
(3S,5R)-5-tert-butyloxolan-3-ol
CID 129415604
(3R,5S)-5-tert-butyloxolan-3-ol
CID 129415677
(4S)-oxolane-2,4-diol
CID 16655459
2-(5-methyl-2-phosphanyl-1,3-dioxan-4-yl)propan-1-ol
CID 89374322

Frequently Asked Questions

What is the IUPAC name of 5-(1-hydroxypropan-2-yl)oxolan-3-ol?
The IUPAC name of 5-(1-hydroxypropan-2-yl)oxolan-3-ol (CID 20778564) is 5-(1-hydroxypropan-2-yl)oxolan-3-ol.
What is the SMILES notation for 5-(1-hydroxypropan-2-yl)oxolan-3-ol?
The canonical SMILES for 5-(1-hydroxypropan-2-yl)oxolan-3-ol is CC(CO)C1CC(O)CO1.
What is the InChIKey of 5-(1-hydroxypropan-2-yl)oxolan-3-ol?
The InChIKey is JEBFYMQGQKZADK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O3/c1-5(3-8)7-2-6(9)4-10-7/h5-9H,2-4H2,1H3.
What are the key properties of 5-(1-hydroxypropan-2-yl)oxolan-3-ol?
5-(1-hydroxypropan-2-yl)oxolan-3-ol has a molecular weight of 146.19 g/mol, XLogP of -0.24, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-hydroxypropan-2-yl)oxolan-3-ol is sourced from PubChem (CID 20778564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).