1-[(2R,3R)-3-prop-2-enyloxiran-2-yl]ethanol

C7H12O2 — CID 13212844

IUPAC1-[(2R,3R)-3-prop-2-enyloxiran-2-yl]ethanol
SMILESC=CC[C@H]1O[C@@H]1C(C)O
InChIInChI=1S/C7H12O2/c1-3-4-6-7(9-6)5(2)8/h3,5-8H,1,4H2,2H3/t5?,6-,7-/m1/s1
InChIKeyCZDIJVVDLBUTEG-JXBXZBNISA-N
MW128.17 g/mol
LogP0.71
Rot. Bonds3

About 1-[(2R,3R)-3-prop-2-enyloxiran-2-yl]ethanol

1-[(2R,3R)-3-prop-2-enyloxiran-2-yl]ethanol (PubChem CID 13212844) has the molecular formula C7H12O2 and a molecular weight of 128.17 g/mol. Its IUPAC name is 1-[(2R,3R)-3-prop-2-enyloxiran-2-yl]ethanol.

Molecular Properties

Compound Name1-[(2R,3R)-3-prop-2-enyloxiran-2-yl]ethanol
PubChem CID13212844
Molecular FormulaC7H12O2
Molecular Weight128.17 g/mol
Exact Mass128.08
IUPAC Name1-[(2R,3R)-3-prop-2-enyloxiran-2-yl]ethanol
SMILESC=CC[C@H]1O[C@@H]1C(C)O
InChIInChI=1S/C7H12O2/c1-3-4-6-7(9-6)5(2)8/h3,5-8H,1,4H2,2H3/t5?,6-,7-/m1/s1
InChIKeyCZDIJVVDLBUTEG-JXBXZBNISA-N
XLogP0.71
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R,3R)-3-prop-2-enyloxiran-2-yl]ethanol?
The IUPAC name of 1-[(2R,3R)-3-prop-2-enyloxiran-2-yl]ethanol (CID 13212844) is 1-[(2R,3R)-3-prop-2-enyloxiran-2-yl]ethanol.
What is the SMILES notation for 1-[(2R,3R)-3-prop-2-enyloxiran-2-yl]ethanol?
The canonical SMILES for 1-[(2R,3R)-3-prop-2-enyloxiran-2-yl]ethanol is C=CC[C@H]1O[C@@H]1C(C)O.
What is the InChIKey of 1-[(2R,3R)-3-prop-2-enyloxiran-2-yl]ethanol?
The InChIKey is CZDIJVVDLBUTEG-JXBXZBNISA-N. The full InChI is InChI=1S/C7H12O2/c1-3-4-6-7(9-6)5(2)8/h3,5-8H,1,4H2,2H3/t5?,6-,7-/m1/s1.
What are the key properties of 1-[(2R,3R)-3-prop-2-enyloxiran-2-yl]ethanol?
1-[(2R,3R)-3-prop-2-enyloxiran-2-yl]ethanol has a molecular weight of 128.17 g/mol, XLogP of 0.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,3R)-3-prop-2-enyloxiran-2-yl]ethanol is sourced from PubChem (CID 13212844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).