oxolane;prop-2-en-1-ol

C7H14O2 — CID 67851867

IUPACoxolane;prop-2-en-1-ol
SMILESC1CCOC1.C=CCO
InChIInChI=1S/C4H8O.C3H6O/c1-2-4-5-3-1;1-2-3-4/h1-4H2;2,4H,1,3H2
InChIKeyDMWJRIQKPTYNIN-UHFFFAOYSA-N
MW130.19 g/mol
LogP0.96
Rot. Bonds1

About oxolane;prop-2-en-1-ol

oxolane;prop-2-en-1-ol (PubChem CID 67851867) has the molecular formula C7H14O2 and a molecular weight of 130.19 g/mol. Its IUPAC name is oxolane;prop-2-en-1-ol.

Molecular Properties

Compound Nameoxolane;prop-2-en-1-ol
PubChem CID67851867
Molecular FormulaC7H14O2
Molecular Weight130.19 g/mol
Exact Mass130.10
IUPAC Nameoxolane;prop-2-en-1-ol
SMILESC1CCOC1.C=CCO
InChIInChI=1S/C4H8O.C3H6O/c1-2-4-5-3-1;1-2-3-4/h1-4H2;2,4H,1,3H2
InChIKeyDMWJRIQKPTYNIN-UHFFFAOYSA-N
XLogP0.96
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of oxolane;prop-2-en-1-ol?
The IUPAC name of oxolane;prop-2-en-1-ol (CID 67851867) is oxolane;prop-2-en-1-ol.
What is the SMILES notation for oxolane;prop-2-en-1-ol?
The canonical SMILES for oxolane;prop-2-en-1-ol is C1CCOC1.C=CCO.
What is the InChIKey of oxolane;prop-2-en-1-ol?
The InChIKey is DMWJRIQKPTYNIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O.C3H6O/c1-2-4-5-3-1;1-2-3-4/h1-4H2;2,4H,1,3H2.
What are the key properties of oxolane;prop-2-en-1-ol?
oxolane;prop-2-en-1-ol has a molecular weight of 130.19 g/mol, XLogP of 0.96, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for oxolane;prop-2-en-1-ol is sourced from PubChem (CID 67851867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).