2-chloro-3-methyloxirane;methanol

C4H9ClO2 — CID 174638567

IUPAC2-chloro-3-methyloxirane;methanol
SMILESCC1OC1Cl.CO
InChIInChI=1S/C3H5ClO.CH4O/c1-2-3(4)5-2;1-2/h2-3H,1H3;2H,1H3
InChIKeyVOXOWAODGDSYDJ-UHFFFAOYSA-N
MW124.57 g/mol
LogP0.58
Rot. Bonds

About 2-chloro-3-methyloxirane;methanol

2-chloro-3-methyloxirane;methanol (PubChem CID 174638567) has the molecular formula C4H9ClO2 and a molecular weight of 124.57 g/mol. Its IUPAC name is 2-chloro-3-methyloxirane;methanol.

Molecular Properties

Compound Name2-chloro-3-methyloxirane;methanol
PubChem CID174638567
Molecular FormulaC4H9ClO2
Molecular Weight124.57 g/mol
Exact Mass124.03
IUPAC Name2-chloro-3-methyloxirane;methanol
SMILESCC1OC1Cl.CO
InChIInChI=1S/C3H5ClO.CH4O/c1-2-3(4)5-2;1-2/h2-3H,1H3;2H,1H3
InChIKeyVOXOWAODGDSYDJ-UHFFFAOYSA-N
XLogP0.58
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.57
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-methyloxirane;methanol?
The IUPAC name of 2-chloro-3-methyloxirane;methanol (CID 174638567) is 2-chloro-3-methyloxirane;methanol.
What is the SMILES notation for 2-chloro-3-methyloxirane;methanol?
The canonical SMILES for 2-chloro-3-methyloxirane;methanol is CC1OC1Cl.CO.
What is the InChIKey of 2-chloro-3-methyloxirane;methanol?
The InChIKey is VOXOWAODGDSYDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5ClO.CH4O/c1-2-3(4)5-2;1-2/h2-3H,1H3;2H,1H3.
What are the key properties of 2-chloro-3-methyloxirane;methanol?
2-chloro-3-methyloxirane;methanol has a molecular weight of 124.57 g/mol, XLogP of 0.58, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-methyloxirane;methanol is sourced from PubChem (CID 174638567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).