(2-methoxy-2-oxoethyl) 3-chloro-2-hydroxypropanoate

C6H9ClO5 — CID 88771507

IUPAC(2-methoxy-2-oxoethyl) 3-chloro-2-hydroxypropanoate
SMILESCOC(=O)COC(=O)C(O)CCl
InChIInChI=1S/C6H9ClO5/c1-11-5(9)3-12-6(10)4(8)2-7/h4,8H,2-3H2,1H3
InChIKeyBZWOCFAGJWGMEU-UHFFFAOYSA-N
MW196.59 g/mol
LogP-0.70
Rot. Bonds4

About (2-methoxy-2-oxoethyl) 3-chloro-2-hydroxypropanoate

(2-methoxy-2-oxoethyl) 3-chloro-2-hydroxypropanoate (PubChem CID 88771507) has the molecular formula C6H9ClO5 and a molecular weight of 196.59 g/mol. Its IUPAC name is (2-methoxy-2-oxoethyl) 3-chloro-2-hydroxypropanoate.

Molecular Properties

Compound Name(2-methoxy-2-oxoethyl) 3-chloro-2-hydroxypropanoate
PubChem CID88771507
Molecular FormulaC6H9ClO5
Molecular Weight196.59 g/mol
Exact Mass196.01
IUPAC Name(2-methoxy-2-oxoethyl) 3-chloro-2-hydroxypropanoate
SMILESCOC(=O)COC(=O)C(O)CCl
InChIInChI=1S/C6H9ClO5/c1-11-5(9)3-12-6(10)4(8)2-7/h4,8H,2-3H2,1H3
InChIKeyBZWOCFAGJWGMEU-UHFFFAOYSA-N
XLogP-0.70
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.59
LogP ≤ 5-0.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2-methoxy-2-oxoethyl) 2-hydroxypropanoate
CID 19788816
(2-methoxy-2-oxoethyl) 2-methylpropanoate
CID 18740014
1-chloro-2-methylpropane;dimethyl propanedioate
CID 174722202
(2-methoxy-2-oxoethyl) 2-aminoacetate
CID 87368434
methyl 2-prop-1-en-2-yloxyacetate
CID 90436519
methyl 3-amino-3-hydroxypropanoate;hydrochloride
CID 87417987
(2-methoxy-2-oxoethyl) 6-hydroxy-2-methylhexanoate
CID 123290772
methyl (2R,3R)-4-chloro-2,3-dihydroxybutanoate
CID 24857982
methyl 2-(2-chloroethoxy)acetate
CID 15337474
(2-methoxy-2-oxoethyl) 3-(2-ethylsulfanylacetyl)oxy-2-methylpropanoate
CID 89276874
(2-methoxy-2-oxoethyl) 2-ethylhexanoate
CID 13468591
(2-methoxy-2-oxoethyl) 4,4,4-trichlorobutanoate
CID 174612950

Frequently Asked Questions

What is the IUPAC name of (2-methoxy-2-oxoethyl) 3-chloro-2-hydroxypropanoate?
The IUPAC name of (2-methoxy-2-oxoethyl) 3-chloro-2-hydroxypropanoate (CID 88771507) is (2-methoxy-2-oxoethyl) 3-chloro-2-hydroxypropanoate.
What is the SMILES notation for (2-methoxy-2-oxoethyl) 3-chloro-2-hydroxypropanoate?
The canonical SMILES for (2-methoxy-2-oxoethyl) 3-chloro-2-hydroxypropanoate is COC(=O)COC(=O)C(O)CCl.
What is the InChIKey of (2-methoxy-2-oxoethyl) 3-chloro-2-hydroxypropanoate?
The InChIKey is BZWOCFAGJWGMEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9ClO5/c1-11-5(9)3-12-6(10)4(8)2-7/h4,8H,2-3H2,1H3.
What are the key properties of (2-methoxy-2-oxoethyl) 3-chloro-2-hydroxypropanoate?
(2-methoxy-2-oxoethyl) 3-chloro-2-hydroxypropanoate has a molecular weight of 196.59 g/mol, XLogP of -0.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-2-oxoethyl) 3-chloro-2-hydroxypropanoate is sourced from PubChem (CID 88771507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).