1-(2-methyloxiran-2-yl)ethane-1,2-diol

C5H10O3 — CID 85325038

IUPAC1-(2-methyloxiran-2-yl)ethane-1,2-diol
SMILESCC1(C(O)CO)CO1
InChIInChI=1S/C5H10O3/c1-5(3-8-5)4(7)2-6/h4,6-7H,2-3H2,1H3
InChIKeyREKLCZSNEUFIBP-UHFFFAOYSA-N
MW118.13 g/mol
LogP-0.87
Rot. Bonds2

About 1-(2-methyloxiran-2-yl)ethane-1,2-diol

1-(2-methyloxiran-2-yl)ethane-1,2-diol (PubChem CID 85325038) has the molecular formula C5H10O3 and a molecular weight of 118.13 g/mol. Its IUPAC name is 1-(2-methyloxiran-2-yl)ethane-1,2-diol.

Molecular Properties

Compound Name1-(2-methyloxiran-2-yl)ethane-1,2-diol
PubChem CID85325038
Molecular FormulaC5H10O3
Molecular Weight118.13 g/mol
Exact Mass118.06
IUPAC Name1-(2-methyloxiran-2-yl)ethane-1,2-diol
SMILESCC1(C(O)CO)CO1
InChIInChI=1S/C5H10O3/c1-5(3-8-5)4(7)2-6/h4,6-7H,2-3H2,1H3
InChIKeyREKLCZSNEUFIBP-UHFFFAOYSA-N
XLogP-0.87
TPSA52.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.13
LogP ≤ 5-0.87
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 1-(2-methyloxiran-2-yl)ethane-1,2-diol?
The IUPAC name of 1-(2-methyloxiran-2-yl)ethane-1,2-diol (CID 85325038) is 1-(2-methyloxiran-2-yl)ethane-1,2-diol.
What is the SMILES notation for 1-(2-methyloxiran-2-yl)ethane-1,2-diol?
The canonical SMILES for 1-(2-methyloxiran-2-yl)ethane-1,2-diol is CC1(C(O)CO)CO1.
What is the InChIKey of 1-(2-methyloxiran-2-yl)ethane-1,2-diol?
The InChIKey is REKLCZSNEUFIBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O3/c1-5(3-8-5)4(7)2-6/h4,6-7H,2-3H2,1H3.
What are the key properties of 1-(2-methyloxiran-2-yl)ethane-1,2-diol?
1-(2-methyloxiran-2-yl)ethane-1,2-diol has a molecular weight of 118.13 g/mol, XLogP of -0.87, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyloxiran-2-yl)ethane-1,2-diol is sourced from PubChem (CID 85325038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).