2-[(2S)-oxiran-2-yl]propan-2-ol

C5H10O2 — CID 11073359

IUPAC2-[(2S)-oxiran-2-yl]propan-2-ol
SMILESCC(C)(O)[C@@H]1CO1
InChIInChI=1S/C5H10O2/c1-5(2,6)4-3-7-4/h4,6H,3H2,1-2H3/t4-/m0/s1
InChIKeyGDUKJERMEWMMMD-BYPYZUCNSA-N
MW102.13 g/mol
LogP0.16
Rot. Bonds1

About 2-[(2S)-oxiran-2-yl]propan-2-ol

2-[(2S)-oxiran-2-yl]propan-2-ol (PubChem CID 11073359) has the molecular formula C5H10O2 and a molecular weight of 102.13 g/mol. Its IUPAC name is 2-[(2S)-oxiran-2-yl]propan-2-ol.

Molecular Properties

Compound Name2-[(2S)-oxiran-2-yl]propan-2-ol
PubChem CID11073359
Molecular FormulaC5H10O2
Molecular Weight102.13 g/mol
Exact Mass102.07
IUPAC Name2-[(2S)-oxiran-2-yl]propan-2-ol
SMILESCC(C)(O)[C@@H]1CO1
InChIInChI=1S/C5H10O2/c1-5(2,6)4-3-7-4/h4,6H,3H2,1-2H3/t4-/m0/s1
InChIKeyGDUKJERMEWMMMD-BYPYZUCNSA-N
XLogP0.16
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.13
LogP ≤ 50.16
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)-oxiran-2-yl]propan-2-ol?
The IUPAC name of 2-[(2S)-oxiran-2-yl]propan-2-ol (CID 11073359) is 2-[(2S)-oxiran-2-yl]propan-2-ol.
What is the SMILES notation for 2-[(2S)-oxiran-2-yl]propan-2-ol?
The canonical SMILES for 2-[(2S)-oxiran-2-yl]propan-2-ol is CC(C)(O)[C@@H]1CO1.
What is the InChIKey of 2-[(2S)-oxiran-2-yl]propan-2-ol?
The InChIKey is GDUKJERMEWMMMD-BYPYZUCNSA-N. The full InChI is InChI=1S/C5H10O2/c1-5(2,6)4-3-7-4/h4,6H,3H2,1-2H3/t4-/m0/s1.
What are the key properties of 2-[(2S)-oxiran-2-yl]propan-2-ol?
2-[(2S)-oxiran-2-yl]propan-2-ol has a molecular weight of 102.13 g/mol, XLogP of 0.16, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-oxiran-2-yl]propan-2-ol is sourced from PubChem (CID 11073359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).