[5-(oxiran-2-yl)oxolan-2-yl]methanol

C7H12O3 — CID 123518659

IUPAC[5-(oxiran-2-yl)oxolan-2-yl]methanol
SMILESOCC1CCC(C2CO2)O1
InChIInChI=1S/C7H12O3/c8-3-5-1-2-6(10-5)7-4-9-7/h5-8H,1-4H2
InChIKeyOICZPKRUJKGJMR-UHFFFAOYSA-N
MW144.17 g/mol
LogP-0.07
Rot. Bonds2

About [5-(oxiran-2-yl)oxolan-2-yl]methanol

[5-(oxiran-2-yl)oxolan-2-yl]methanol (PubChem CID 123518659) has the molecular formula C7H12O3 and a molecular weight of 144.17 g/mol. Its IUPAC name is [5-(oxiran-2-yl)oxolan-2-yl]methanol.

Molecular Properties

Compound Name[5-(oxiran-2-yl)oxolan-2-yl]methanol
PubChem CID123518659
Molecular FormulaC7H12O3
Molecular Weight144.17 g/mol
Exact Mass144.08
IUPAC Name[5-(oxiran-2-yl)oxolan-2-yl]methanol
SMILESOCC1CCC(C2CO2)O1
InChIInChI=1S/C7H12O3/c8-3-5-1-2-6(10-5)7-4-9-7/h5-8H,1-4H2
InChIKeyOICZPKRUJKGJMR-UHFFFAOYSA-N
XLogP-0.07
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [5-(oxiran-2-yl)oxolan-2-yl]methanol?
The IUPAC name of [5-(oxiran-2-yl)oxolan-2-yl]methanol (CID 123518659) is [5-(oxiran-2-yl)oxolan-2-yl]methanol.
What is the SMILES notation for [5-(oxiran-2-yl)oxolan-2-yl]methanol?
The canonical SMILES for [5-(oxiran-2-yl)oxolan-2-yl]methanol is OCC1CCC(C2CO2)O1.
What is the InChIKey of [5-(oxiran-2-yl)oxolan-2-yl]methanol?
The InChIKey is OICZPKRUJKGJMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O3/c8-3-5-1-2-6(10-5)7-4-9-7/h5-8H,1-4H2.
What are the key properties of [5-(oxiran-2-yl)oxolan-2-yl]methanol?
[5-(oxiran-2-yl)oxolan-2-yl]methanol has a molecular weight of 144.17 g/mol, XLogP of -0.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(oxiran-2-yl)oxolan-2-yl]methanol is sourced from PubChem (CID 123518659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).