[(2S)-3,3-dimethyloxiran-2-yl]methanol

C5H10O2 — CID 11105322

IUPAC[(2S)-3,3-dimethyloxiran-2-yl]methanol
SMILESCC1(C)O[C@H]1CO
InChIInChI=1S/C5H10O2/c1-5(2)4(3-6)7-5/h4,6H,3H2,1-2H3/t4-/m0/s1
InChIKeyHJXAWVLTVYGIBH-BYPYZUCNSA-N
MW102.13 g/mol
LogP0.16
Rot. Bonds1

About [(2S)-3,3-dimethyloxiran-2-yl]methanol

[(2S)-3,3-dimethyloxiran-2-yl]methanol (PubChem CID 11105322) has the molecular formula C5H10O2 and a molecular weight of 102.13 g/mol. Its IUPAC name is [(2S)-3,3-dimethyloxiran-2-yl]methanol.

Molecular Properties

Compound Name[(2S)-3,3-dimethyloxiran-2-yl]methanol
PubChem CID11105322
Molecular FormulaC5H10O2
Molecular Weight102.13 g/mol
Exact Mass102.07
IUPAC Name[(2S)-3,3-dimethyloxiran-2-yl]methanol
SMILESCC1(C)O[C@H]1CO
InChIInChI=1S/C5H10O2/c1-5(2)4(3-6)7-5/h4,6H,3H2,1-2H3/t4-/m0/s1
InChIKeyHJXAWVLTVYGIBH-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 [(2S)-3,3-dimethyloxiran-2-yl]methanol?
The IUPAC name of [(2S)-3,3-dimethyloxiran-2-yl]methanol (CID 11105322) is [(2S)-3,3-dimethyloxiran-2-yl]methanol.
What is the SMILES notation for [(2S)-3,3-dimethyloxiran-2-yl]methanol?
The canonical SMILES for [(2S)-3,3-dimethyloxiran-2-yl]methanol is CC1(C)O[C@H]1CO.
What is the InChIKey of [(2S)-3,3-dimethyloxiran-2-yl]methanol?
The InChIKey is HJXAWVLTVYGIBH-BYPYZUCNSA-N. The full InChI is InChI=1S/C5H10O2/c1-5(2)4(3-6)7-5/h4,6H,3H2,1-2H3/t4-/m0/s1.
What are the key properties of [(2S)-3,3-dimethyloxiran-2-yl]methanol?
[(2S)-3,3-dimethyloxiran-2-yl]methanol 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 [(2S)-3,3-dimethyloxiran-2-yl]methanol is sourced from PubChem (CID 11105322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).