[(2S,3R)-3-methyloxiran-2-yl]methanol

C4H8O2 — CID 11263468

IUPAC[(2S,3R)-3-methyloxiran-2-yl]methanol
SMILESC[C@H]1O[C@H]1CO
InChIInChI=1S/C4H8O2/c1-3-4(2-5)6-3/h3-5H,2H2,1H3/t3-,4+/m1/s1
InChIKeyQQHZNUPEBVRUFO-DMTCNVIQSA-N
MW88.11 g/mol
LogP-0.23
Rot. Bonds1

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

[(2S,3R)-3-methyloxiran-2-yl]methanol (PubChem CID 11263468) has the molecular formula C4H8O2 and a molecular weight of 88.11 g/mol. Its IUPAC name is [(2S,3R)-3-methyloxiran-2-yl]methanol.

Molecular Properties

Compound Name[(2S,3R)-3-methyloxiran-2-yl]methanol
PubChem CID11263468
Molecular FormulaC4H8O2
Molecular Weight88.11 g/mol
Exact Mass88.05
IUPAC Name[(2S,3R)-3-methyloxiran-2-yl]methanol
SMILESC[C@H]1O[C@H]1CO
InChIInChI=1S/C4H8O2/c1-3-4(2-5)6-3/h3-5H,2H2,1H3/t3-,4+/m1/s1
InChIKeyQQHZNUPEBVRUFO-DMTCNVIQSA-N
XLogP-0.23
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50088.11
LogP ≤ 5-0.23
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,3R)-3-methyloxiran-2-yl]methanol?
The IUPAC name of [(2S,3R)-3-methyloxiran-2-yl]methanol (CID 11263468) is [(2S,3R)-3-methyloxiran-2-yl]methanol.
What is the SMILES notation for [(2S,3R)-3-methyloxiran-2-yl]methanol?
The canonical SMILES for [(2S,3R)-3-methyloxiran-2-yl]methanol is C[C@H]1O[C@H]1CO.
What is the InChIKey of [(2S,3R)-3-methyloxiran-2-yl]methanol?
The InChIKey is QQHZNUPEBVRUFO-DMTCNVIQSA-N. The full InChI is InChI=1S/C4H8O2/c1-3-4(2-5)6-3/h3-5H,2H2,1H3/t3-,4+/m1/s1.
What are the key properties of [(2S,3R)-3-methyloxiran-2-yl]methanol?
[(2S,3R)-3-methyloxiran-2-yl]methanol has a molecular weight of 88.11 g/mol, XLogP of -0.23, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3R)-3-methyloxiran-2-yl]methanol is sourced from PubChem (CID 11263468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).