2-(oxiran-2-yl)propane-1,3-diol

C5H10O3 — CID 18506434

IUPAC2-(oxiran-2-yl)propane-1,3-diol
SMILESOCC(CO)C1CO1
InChIInChI=1S/C5H10O3/c6-1-4(2-7)5-3-8-5/h4-7H,1-3H2
InChIKeyLARRKHGUVLRDNW-UHFFFAOYSA-N
MW118.13 g/mol
LogP-1.01
Rot. Bonds3

About 2-(oxiran-2-yl)propane-1,3-diol

2-(oxiran-2-yl)propane-1,3-diol (PubChem CID 18506434) has the molecular formula C5H10O3 and a molecular weight of 118.13 g/mol. Its IUPAC name is 2-(oxiran-2-yl)propane-1,3-diol.

Molecular Properties

Compound Name2-(oxiran-2-yl)propane-1,3-diol
PubChem CID18506434
Molecular FormulaC5H10O3
Molecular Weight118.13 g/mol
Exact Mass118.06
IUPAC Name2-(oxiran-2-yl)propane-1,3-diol
SMILESOCC(CO)C1CO1
InChIInChI=1S/C5H10O3/c6-1-4(2-7)5-3-8-5/h4-7H,1-3H2
InChIKeyLARRKHGUVLRDNW-UHFFFAOYSA-N
XLogP-1.01
TPSA52.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.13
LogP ≤ 5-1.01
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 2-(oxiran-2-yl)propane-1,3-diol?
The IUPAC name of 2-(oxiran-2-yl)propane-1,3-diol (CID 18506434) is 2-(oxiran-2-yl)propane-1,3-diol.
What is the SMILES notation for 2-(oxiran-2-yl)propane-1,3-diol?
The canonical SMILES for 2-(oxiran-2-yl)propane-1,3-diol is OCC(CO)C1CO1.
What is the InChIKey of 2-(oxiran-2-yl)propane-1,3-diol?
The InChIKey is LARRKHGUVLRDNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O3/c6-1-4(2-7)5-3-8-5/h4-7H,1-3H2.
What are the key properties of 2-(oxiran-2-yl)propane-1,3-diol?
2-(oxiran-2-yl)propane-1,3-diol has a molecular weight of 118.13 g/mol, XLogP of -1.01, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxiran-2-yl)propane-1,3-diol is sourced from PubChem (CID 18506434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).