3-(chloromethyl)-3-hydroxyoxolan-2-one

C5H7ClO3 — CID 55302231

IUPAC3-(chloromethyl)-3-hydroxyoxolan-2-one
SMILESO=C1OCCC1(O)CCl
InChIInChI=1S/C5H7ClO3/c6-3-5(8)1-2-9-4(5)7/h8H,1-3H2
InChIKeyQNYYMHMACNVPQT-UHFFFAOYSA-N
MW150.56 g/mol
LogP-0.10
Rot. Bonds1

About 3-(chloromethyl)-3-hydroxyoxolan-2-one

3-(chloromethyl)-3-hydroxyoxolan-2-one (PubChem CID 55302231) has the molecular formula C5H7ClO3 and a molecular weight of 150.56 g/mol. Its IUPAC name is 3-(chloromethyl)-3-hydroxyoxolan-2-one.

Molecular Properties

Compound Name3-(chloromethyl)-3-hydroxyoxolan-2-one
PubChem CID55302231
Molecular FormulaC5H7ClO3
Molecular Weight150.56 g/mol
Exact Mass150.01
IUPAC Name3-(chloromethyl)-3-hydroxyoxolan-2-one
SMILESO=C1OCCC1(O)CCl
InChIInChI=1S/C5H7ClO3/c6-3-5(8)1-2-9-4(5)7/h8H,1-3H2
InChIKeyQNYYMHMACNVPQT-UHFFFAOYSA-N
XLogP-0.10
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.56
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-3-hydroxyoxolan-2-one?
The IUPAC name of 3-(chloromethyl)-3-hydroxyoxolan-2-one (CID 55302231) is 3-(chloromethyl)-3-hydroxyoxolan-2-one.
What is the SMILES notation for 3-(chloromethyl)-3-hydroxyoxolan-2-one?
The canonical SMILES for 3-(chloromethyl)-3-hydroxyoxolan-2-one is O=C1OCCC1(O)CCl.
What is the InChIKey of 3-(chloromethyl)-3-hydroxyoxolan-2-one?
The InChIKey is QNYYMHMACNVPQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7ClO3/c6-3-5(8)1-2-9-4(5)7/h8H,1-3H2.
What are the key properties of 3-(chloromethyl)-3-hydroxyoxolan-2-one?
3-(chloromethyl)-3-hydroxyoxolan-2-one has a molecular weight of 150.56 g/mol, XLogP of -0.10, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-3-hydroxyoxolan-2-one is sourced from PubChem (CID 55302231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).