[(2S,3S)-3-(2-methylprop-2-enyl)oxiran-2-yl]methanol

C7H12O2 — CID 23628355

IUPAC[(2S,3S)-3-(2-methylprop-2-enyl)oxiran-2-yl]methanol
SMILESC=C(C)C[C@@H]1O[C@H]1CO
InChIInChI=1S/C7H12O2/c1-5(2)3-6-7(4-8)9-6/h6-8H,1,3-4H2,2H3/t6-,7-/m0/s1
InChIKeyZDEHNTHRFSDOSO-BQBZGAKWSA-N
MW128.17 g/mol
LogP0.71
Rot. Bonds3

About [(2S,3S)-3-(2-methylprop-2-enyl)oxiran-2-yl]methanol

[(2S,3S)-3-(2-methylprop-2-enyl)oxiran-2-yl]methanol (PubChem CID 23628355) has the molecular formula C7H12O2 and a molecular weight of 128.17 g/mol. Its IUPAC name is [(2S,3S)-3-(2-methylprop-2-enyl)oxiran-2-yl]methanol.

Molecular Properties

Compound Name[(2S,3S)-3-(2-methylprop-2-enyl)oxiran-2-yl]methanol
PubChem CID23628355
Molecular FormulaC7H12O2
Molecular Weight128.17 g/mol
Exact Mass128.08
IUPAC Name[(2S,3S)-3-(2-methylprop-2-enyl)oxiran-2-yl]methanol
SMILESC=C(C)C[C@@H]1O[C@H]1CO
InChIInChI=1S/C7H12O2/c1-5(2)3-6-7(4-8)9-6/h6-8H,1,3-4H2,2H3/t6-,7-/m0/s1
InChIKeyZDEHNTHRFSDOSO-BQBZGAKWSA-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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Related Compounds

(1S)-1-[(2S,3S)-3-methyloxiran-2-yl]but-3-en-1-ol
CID 11789230
1-(3-Methyloxiranyl)-3-buten-1-ol
CID 13212847
(1S)-1-[(2R,3R)-3-methyloxiran-2-yl]but-3-en-1-ol
CID 10909593
(2R,3R,4S)-2-prop-1-en-2-yloxolane-3,4-diol
CID 11240553
[(2R,3R)-3-but-3-enyloxiran-2-yl]methanol
CID 11768588
(1R)-1-[(2R,3R)-3-prop-2-enyloxiran-2-yl]ethanol
CID 13212843
(1R)-1-[(2R,3R)-3-methyloxiran-2-yl]but-3-en-1-ol
CID 21634409
[3-(2-Methylprop-2-enyl)oxiran-2-yl]methanol
CID 72951767
(1S)-1-[(2R,3R)-3-prop-2-enyloxiran-2-yl]ethanol
CID 10464364
1-[(2R,3R)-3-prop-2-enyloxiran-2-yl]ethanol
CID 13212844
1-(3,3-Dimethyloxiran-2-yl)-2-methylprop-2-en-1-ol
CID 14006250
4-Methyl-1-(oxiran-2-yl)pent-4-en-1-ol
CID 23045439

Frequently Asked Questions

What is the IUPAC name of [(2S,3S)-3-(2-methylprop-2-enyl)oxiran-2-yl]methanol?
The IUPAC name of [(2S,3S)-3-(2-methylprop-2-enyl)oxiran-2-yl]methanol (CID 23628355) is [(2S,3S)-3-(2-methylprop-2-enyl)oxiran-2-yl]methanol.
What is the SMILES notation for [(2S,3S)-3-(2-methylprop-2-enyl)oxiran-2-yl]methanol?
The canonical SMILES for [(2S,3S)-3-(2-methylprop-2-enyl)oxiran-2-yl]methanol is C=C(C)C[C@@H]1O[C@H]1CO.
What is the InChIKey of [(2S,3S)-3-(2-methylprop-2-enyl)oxiran-2-yl]methanol?
The InChIKey is ZDEHNTHRFSDOSO-BQBZGAKWSA-N. The full InChI is InChI=1S/C7H12O2/c1-5(2)3-6-7(4-8)9-6/h6-8H,1,3-4H2,2H3/t6-,7-/m0/s1.
What are the key properties of [(2S,3S)-3-(2-methylprop-2-enyl)oxiran-2-yl]methanol?
[(2S,3S)-3-(2-methylprop-2-enyl)oxiran-2-yl]methanol 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 [(2S,3S)-3-(2-methylprop-2-enyl)oxiran-2-yl]methanol is sourced from PubChem (CID 23628355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).