oxolane-2,5-diol

C4H8O3 — CID 4167060

IUPACoxolane-2,5-diol
SMILESOC1CCC(O)O1
InChIInChI=1S/C4H8O3/c5-3-1-2-4(6)7-3/h3-6H,1-2H2
InChIKeyXCWZSWBOSVVZGV-UHFFFAOYSA-N
MW104.10 g/mol
LogP-0.57
Rot. Bonds

About oxolane-2,5-diol

oxolane-2,5-diol (PubChem CID 4167060) has the molecular formula C4H8O3 and a molecular weight of 104.10 g/mol. Its IUPAC name is oxolane-2,5-diol.

Molecular Properties

Compound Nameoxolane-2,5-diol
PubChem CID4167060
Molecular FormulaC4H8O3
Molecular Weight104.10 g/mol
Exact Mass104.05
IUPAC Nameoxolane-2,5-diol
SMILESOC1CCC(O)O1
InChIInChI=1S/C4H8O3/c5-3-1-2-4(6)7-3/h3-6H,1-2H2
InChIKeyXCWZSWBOSVVZGV-UHFFFAOYSA-N
XLogP-0.57
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.10
LogP ≤ 5-0.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Tetrahydro-2-hydroxyfuran
CID 93002
3,3-Dimethyloxolan-2-ol
CID 13616740
Tetrahydrofuran hydroperoxide
CID 12387212
Tetrahydrofurandiol
CID 3016578
4-((Tetrahydrofuran-2-yl)oxy)butan-1-ol
CID 11744922
1,3-Dioxolane-2-propanol
CID 11970929
2-Furanol, tetrahydro-4-methyl-
CID 11007834
5-Methyltetrahydrofuran-2-ol
CID 10898662
3-Methyltetrahydrofuran-2-ol
CID 12367606
(5s)-2-Hydroxy-5-methyltetrahydrofuran
CID 11062322
(5R)-5-methyloxolan-2-ol
CID 11858887
1-Ethoxybutan-1-ol
CID 21946345

Frequently Asked Questions

What is the IUPAC name of oxolane-2,5-diol?
The IUPAC name of oxolane-2,5-diol (CID 4167060) is oxolane-2,5-diol.
What is the SMILES notation for oxolane-2,5-diol?
The canonical SMILES for oxolane-2,5-diol is OC1CCC(O)O1.
What is the InChIKey of oxolane-2,5-diol?
The InChIKey is XCWZSWBOSVVZGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O3/c5-3-1-2-4(6)7-3/h3-6H,1-2H2.
What are the key properties of oxolane-2,5-diol?
oxolane-2,5-diol has a molecular weight of 104.10 g/mol, XLogP of -0.57, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxolane-2,5-diol is sourced from PubChem (CID 4167060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).