oxirane;propane;propane-1,2-diol

C8H20O3 — CID 174282162

IUPACoxirane;propane;propane-1,2-diol
SMILESC1CO1.CC(O)CO.CCC
InChIInChI=1S/C3H8O2.C3H8.C2H4O/c1-3(5)2-4;1-3-2;1-2-3-1/h3-5H,2H2,1H3;3H2,1-2H3;1-2H2
InChIKeyRGQISIZATSTRLN-UHFFFAOYSA-N
MW164.24 g/mol
LogP0.79
Rot. Bonds1

About oxirane;propane;propane-1,2-diol

oxirane;propane;propane-1,2-diol (PubChem CID 174282162) has the molecular formula C8H20O3 and a molecular weight of 164.24 g/mol. Its IUPAC name is oxirane;propane;propane-1,2-diol.

Molecular Properties

Compound Nameoxirane;propane;propane-1,2-diol
PubChem CID174282162
Molecular FormulaC8H20O3
Molecular Weight164.24 g/mol
Exact Mass164.14
IUPAC Nameoxirane;propane;propane-1,2-diol
SMILESC1CO1.CC(O)CO.CCC
InChIInChI=1S/C3H8O2.C3H8.C2H4O/c1-3(5)2-4;1-3-2;1-2-3-1/h3-5H,2H2,1H3;3H2,1-2H3;1-2H2
InChIKeyRGQISIZATSTRLN-UHFFFAOYSA-N
XLogP0.79
TPSA52.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.24
LogP ≤ 50.79
H-Bond Donors ≤ 52
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 oxirane;propane;propane-1,2-diol?
The IUPAC name of oxirane;propane;propane-1,2-diol (CID 174282162) is oxirane;propane;propane-1,2-diol.
What is the SMILES notation for oxirane;propane;propane-1,2-diol?
The canonical SMILES for oxirane;propane;propane-1,2-diol is C1CO1.CC(O)CO.CCC.
What is the InChIKey of oxirane;propane;propane-1,2-diol?
The InChIKey is RGQISIZATSTRLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8O2.C3H8.C2H4O/c1-3(5)2-4;1-3-2;1-2-3-1/h3-5H,2H2,1H3;3H2,1-2H3;1-2H2.
What are the key properties of oxirane;propane;propane-1,2-diol?
oxirane;propane;propane-1,2-diol has a molecular weight of 164.24 g/mol, XLogP of 0.79, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxirane;propane;propane-1,2-diol is sourced from PubChem (CID 174282162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).