oxolane-2,2-diol

C4H8O3 — CID 3016578

IUPACoxolane-2,2-diol
SMILESOC1(O)CCCO1
InChIInChI=1S/C4H8O3/c5-4(6)2-1-3-7-4/h5-6H,1-3H2
InChIKeyAEWLBYKVDXKPPN-UHFFFAOYSA-N
MW104.11 g/mol
LogP-0.56
Rot. Bonds

About oxolane-2,2-diol

oxolane-2,2-diol (PubChem CID 3016578) has the molecular formula C4H8O3 and a molecular weight of 104.11 g/mol. Its IUPAC name is oxolane-2,2-diol.

Molecular Properties

Compound Nameoxolane-2,2-diol
PubChem CID3016578
Molecular FormulaC4H8O3
Molecular Weight104.11 g/mol
Exact Mass104.05
IUPAC Nameoxolane-2,2-diol
SMILESOC1(O)CCCO1
InChIInChI=1S/C4H8O3/c5-4(6)2-1-3-7-4/h5-6H,1-3H2
InChIKeyAEWLBYKVDXKPPN-UHFFFAOYSA-N
XLogP-0.56
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.11
LogP ≤ 5-0.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Tetrahydro-2-hydroxyfuran
CID 93002
2-Furanol, tetrahydro-2-methyl-
CID 23743
2,5-Tetrahydrofurandiol
CID 4167060
2,2-Bis-hydroxy-methyltetrahydrofuran
CID 129725869
2-Fluorooxolan-2-ol
CID 69265394
(2R)-2-methyloxolan-2-ol
CID 5324857
(R)-Tetrahydro-2-furanol
CID 40507952
(S)-Tetrahydro-2-furanol
CID 40507958
1-Ethoxybutane-1,1-diol
CID 54142778
2-Methoxyoxolan-2-ol
CID 54498050
(2S,5R)-oxolane-2,5-diol
CID 58645453
(2S)-2-methyloxolan-2-ol
CID 60204949

Frequently Asked Questions

What is the IUPAC name of oxolane-2,2-diol?
The IUPAC name of oxolane-2,2-diol (CID 3016578) is oxolane-2,2-diol.
What is the SMILES notation for oxolane-2,2-diol?
The canonical SMILES for oxolane-2,2-diol is OC1(O)CCCO1.
What is the InChIKey of oxolane-2,2-diol?
The InChIKey is AEWLBYKVDXKPPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O3/c5-4(6)2-1-3-7-4/h5-6H,1-3H2.
What are the key properties of oxolane-2,2-diol?
oxolane-2,2-diol has a molecular weight of 104.11 g/mol, XLogP of -0.56, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxolane-2,2-diol is sourced from PubChem (CID 3016578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).