2-[(2S,3R)-3-ethyloxiran-2-yl]ethanol

C6H12O2 — CID 10290771

IUPAC2-[(2S,3R)-3-ethyloxiran-2-yl]ethanol
SMILESCC[C@H]1O[C@H]1CCO
InChIInChI=1S/C6H12O2/c1-2-5-6(8-5)3-4-7/h5-7H,2-4H2,1H3/t5-,6+/m1/s1
InChIKeySTHLKDCSDYFCCW-RITPCOANSA-N
MW116.16 g/mol
LogP0.55
Rot. Bonds3

About 2-[(2S,3R)-3-ethyloxiran-2-yl]ethanol

2-[(2S,3R)-3-ethyloxiran-2-yl]ethanol (PubChem CID 10290771) has the molecular formula C6H12O2 and a molecular weight of 116.16 g/mol. Its IUPAC name is 2-[(2S,3R)-3-ethyloxiran-2-yl]ethanol.

Molecular Properties

Compound Name2-[(2S,3R)-3-ethyloxiran-2-yl]ethanol
PubChem CID10290771
Molecular FormulaC6H12O2
Molecular Weight116.16 g/mol
Exact Mass116.08
IUPAC Name2-[(2S,3R)-3-ethyloxiran-2-yl]ethanol
SMILESCC[C@H]1O[C@H]1CCO
InChIInChI=1S/C6H12O2/c1-2-5-6(8-5)3-4-7/h5-7H,2-4H2,1H3/t5-,6+/m1/s1
InChIKeySTHLKDCSDYFCCW-RITPCOANSA-N
XLogP0.55
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.16
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-[(2S,3R)-3-ethyloxiran-2-yl]ethanol?
The IUPAC name of 2-[(2S,3R)-3-ethyloxiran-2-yl]ethanol (CID 10290771) is 2-[(2S,3R)-3-ethyloxiran-2-yl]ethanol.
What is the SMILES notation for 2-[(2S,3R)-3-ethyloxiran-2-yl]ethanol?
The canonical SMILES for 2-[(2S,3R)-3-ethyloxiran-2-yl]ethanol is CC[C@H]1O[C@H]1CCO.
What is the InChIKey of 2-[(2S,3R)-3-ethyloxiran-2-yl]ethanol?
The InChIKey is STHLKDCSDYFCCW-RITPCOANSA-N. The full InChI is InChI=1S/C6H12O2/c1-2-5-6(8-5)3-4-7/h5-7H,2-4H2,1H3/t5-,6+/m1/s1.
What are the key properties of 2-[(2S,3R)-3-ethyloxiran-2-yl]ethanol?
2-[(2S,3R)-3-ethyloxiran-2-yl]ethanol has a molecular weight of 116.16 g/mol, XLogP of 0.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,3R)-3-ethyloxiran-2-yl]ethanol is sourced from PubChem (CID 10290771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).