(2R,5R)-5-(chloromethyl)-2-methyl-1,3-dioxolan-4-one

C5H7ClO3 — CID 55301328

IUPAC(2R,5R)-5-(chloromethyl)-2-methyl-1,3-dioxolan-4-one
SMILESC[C@H]1OC(=O)[C@H](CCl)O1
InChIInChI=1S/C5H7ClO3/c1-3-8-4(2-6)5(7)9-3/h3-4H,2H2,1H3/t3-,4+/m1/s1
InChIKeyYNVJLNBMOLYDQY-DMTCNVIQSA-N
MW150.56 g/mol
LogP0.51
Rot. Bonds1

About (2R,5R)-5-(chloromethyl)-2-methyl-1,3-dioxolan-4-one

(2R,5R)-5-(chloromethyl)-2-methyl-1,3-dioxolan-4-one (PubChem CID 55301328) has the molecular formula C5H7ClO3 and a molecular weight of 150.56 g/mol. Its IUPAC name is (2R,5R)-5-(chloromethyl)-2-methyl-1,3-dioxolan-4-one.

Molecular Properties

Compound Name(2R,5R)-5-(chloromethyl)-2-methyl-1,3-dioxolan-4-one
PubChem CID55301328
Molecular FormulaC5H7ClO3
Molecular Weight150.56 g/mol
Exact Mass150.01
IUPAC Name(2R,5R)-5-(chloromethyl)-2-methyl-1,3-dioxolan-4-one
SMILESC[C@H]1OC(=O)[C@H](CCl)O1
InChIInChI=1S/C5H7ClO3/c1-3-8-4(2-6)5(7)9-3/h3-4H,2H2,1H3/t3-,4+/m1/s1
InChIKeyYNVJLNBMOLYDQY-DMTCNVIQSA-N
XLogP0.51
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.56
LogP ≤ 50.51
H-Bond Donors ≤ 50
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 (2R,5R)-5-(chloromethyl)-2-methyl-1,3-dioxolan-4-one?
The IUPAC name of (2R,5R)-5-(chloromethyl)-2-methyl-1,3-dioxolan-4-one (CID 55301328) is (2R,5R)-5-(chloromethyl)-2-methyl-1,3-dioxolan-4-one.
What is the SMILES notation for (2R,5R)-5-(chloromethyl)-2-methyl-1,3-dioxolan-4-one?
The canonical SMILES for (2R,5R)-5-(chloromethyl)-2-methyl-1,3-dioxolan-4-one is C[C@H]1OC(=O)[C@H](CCl)O1.
What is the InChIKey of (2R,5R)-5-(chloromethyl)-2-methyl-1,3-dioxolan-4-one?
The InChIKey is YNVJLNBMOLYDQY-DMTCNVIQSA-N. The full InChI is InChI=1S/C5H7ClO3/c1-3-8-4(2-6)5(7)9-3/h3-4H,2H2,1H3/t3-,4+/m1/s1.
What are the key properties of (2R,5R)-5-(chloromethyl)-2-methyl-1,3-dioxolan-4-one?
(2R,5R)-5-(chloromethyl)-2-methyl-1,3-dioxolan-4-one has a molecular weight of 150.56 g/mol, XLogP of 0.51, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R)-5-(chloromethyl)-2-methyl-1,3-dioxolan-4-one is sourced from PubChem (CID 55301328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).