2-[(2R,3R)-3-ethyl-2-methyloxiran-2-yl]ethanol

C7H14O2 — CID 134930685

IUPAC2-[(2R,3R)-3-ethyl-2-methyloxiran-2-yl]ethanol
SMILESCC[C@H]1O[C@]1(C)CCO
InChIInChI=1S/C7H14O2/c1-3-6-7(2,9-6)4-5-8/h6,8H,3-5H2,1-2H3/t6-,7-/m1/s1
InChIKeyBGLGAMXKKJBOLU-RNFRBKRXSA-N
MW130.19 g/mol
LogP0.94
Rot. Bonds3

About 2-[(2R,3R)-3-ethyl-2-methyloxiran-2-yl]ethanol

2-[(2R,3R)-3-ethyl-2-methyloxiran-2-yl]ethanol (PubChem CID 134930685) has the molecular formula C7H14O2 and a molecular weight of 130.19 g/mol. Its IUPAC name is 2-[(2R,3R)-3-ethyl-2-methyloxiran-2-yl]ethanol.

Molecular Properties

Compound Name2-[(2R,3R)-3-ethyl-2-methyloxiran-2-yl]ethanol
PubChem CID134930685
Molecular FormulaC7H14O2
Molecular Weight130.19 g/mol
Exact Mass130.10
IUPAC Name2-[(2R,3R)-3-ethyl-2-methyloxiran-2-yl]ethanol
SMILESCC[C@H]1O[C@]1(C)CCO
InChIInChI=1S/C7H14O2/c1-3-6-7(2,9-6)4-5-8/h6,8H,3-5H2,1-2H3/t6-,7-/m1/s1
InChIKeyBGLGAMXKKJBOLU-RNFRBKRXSA-N
XLogP0.94
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 50.94
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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Related Compounds

2-Oxiraneethanol, 3-ethyl-
CID 106757
2-[(2R,3S)-3-ethyloxiran-2-yl]ethanol
CID 12459567
(2R,3R)-2-Methyl-3-propyloxiranemethanol
CID 14959484
2-Methyl-1-(oxiran-2-yl)butan-2-ol
CID 15555940
1-(3,3-Dimethyloxiran-2-yl)propan-1-ol
CID 57752069
(1S)-1-[(2R)-2-ethyloxiran-2-yl]propan-1-ol
CID 11051683
2-(3,3-Dimethyloxiran-2-yl)ethanol
CID 13327302
(3-Butan-2-yloxiran-2-yl)methanol
CID 13970148
(2S)-1-[(2R)-2-methyloxiran-2-yl]propan-2-ol
CID 11126226
2-[(2R,3R)-3-ethyloxiran-2-yl]ethanol
CID 12459568
(2R)-1-[(2R)-2-methyloxiran-2-yl]propan-2-ol
CID 12835188
[(2R,3R)-3-methyl-3-propyloxiran-2-yl]methanol
CID 16220339

Frequently Asked Questions

What is the IUPAC name of 2-[(2R,3R)-3-ethyl-2-methyloxiran-2-yl]ethanol?
The IUPAC name of 2-[(2R,3R)-3-ethyl-2-methyloxiran-2-yl]ethanol (CID 134930685) is 2-[(2R,3R)-3-ethyl-2-methyloxiran-2-yl]ethanol.
What is the SMILES notation for 2-[(2R,3R)-3-ethyl-2-methyloxiran-2-yl]ethanol?
The canonical SMILES for 2-[(2R,3R)-3-ethyl-2-methyloxiran-2-yl]ethanol is CC[C@H]1O[C@]1(C)CCO.
What is the InChIKey of 2-[(2R,3R)-3-ethyl-2-methyloxiran-2-yl]ethanol?
The InChIKey is BGLGAMXKKJBOLU-RNFRBKRXSA-N. The full InChI is InChI=1S/C7H14O2/c1-3-6-7(2,9-6)4-5-8/h6,8H,3-5H2,1-2H3/t6-,7-/m1/s1.
What are the key properties of 2-[(2R,3R)-3-ethyl-2-methyloxiran-2-yl]ethanol?
2-[(2R,3R)-3-ethyl-2-methyloxiran-2-yl]ethanol has a molecular weight of 130.19 g/mol, XLogP of 0.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,3R)-3-ethyl-2-methyloxiran-2-yl]ethanol is sourced from PubChem (CID 134930685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).