2-(3-chloro-3-oxopropoxy)ethyl 2-methylprop-2-enoate

C9H13ClO4 — CID 87696960

IUPAC2-(3-chloro-3-oxopropoxy)ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCOCCC(=O)Cl
InChIInChI=1S/C9H13ClO4/c1-7(2)9(12)14-6-5-13-4-3-8(10)11/h1,3-6H2,2H3
InChIKeyGWNDWCHYDIRMFS-UHFFFAOYSA-N
MW220.65 g/mol
LogP1.28
Rot. Bonds7

About 2-(3-chloro-3-oxopropoxy)ethyl 2-methylprop-2-enoate

2-(3-chloro-3-oxopropoxy)ethyl 2-methylprop-2-enoate (PubChem CID 87696960) has the molecular formula C9H13ClO4 and a molecular weight of 220.65 g/mol. Its IUPAC name is 2-(3-chloro-3-oxopropoxy)ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-(3-chloro-3-oxopropoxy)ethyl 2-methylprop-2-enoate
PubChem CID87696960
Molecular FormulaC9H13ClO4
Molecular Weight220.65 g/mol
Exact Mass220.05
IUPAC Name2-(3-chloro-3-oxopropoxy)ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCOCCC(=O)Cl
InChIInChI=1S/C9H13ClO4/c1-7(2)9(12)14-6-5-13-4-3-8(10)11/h1,3-6H2,2H3
InChIKeyGWNDWCHYDIRMFS-UHFFFAOYSA-N
XLogP1.28
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.65
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 7979
2-[2-[2-[2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 18762112
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 139628547
2-(2-methylprop-2-enoyloxy)ethyl 4-chloro-4-oxobutanoate
CID 58942580
bis(2-methylprop-2-enoic acid);2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethyl 2-methylprop-2-enoate
CID 158009828
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 22918033
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate;2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate;2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate;2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate;2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 162171139
2-(2-aminoethoxy)ethyl 2-methylprop-2-enoate
CID 20573934
2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 19001742
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 23189778
ethene;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate
CID 173009937
2-[2-[2-[2-[2-[2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 118552732

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-3-oxopropoxy)ethyl 2-methylprop-2-enoate?
The IUPAC name of 2-(3-chloro-3-oxopropoxy)ethyl 2-methylprop-2-enoate (CID 87696960) is 2-(3-chloro-3-oxopropoxy)ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-(3-chloro-3-oxopropoxy)ethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-(3-chloro-3-oxopropoxy)ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCOCCC(=O)Cl.
What is the InChIKey of 2-(3-chloro-3-oxopropoxy)ethyl 2-methylprop-2-enoate?
The InChIKey is GWNDWCHYDIRMFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClO4/c1-7(2)9(12)14-6-5-13-4-3-8(10)11/h1,3-6H2,2H3.
What are the key properties of 2-(3-chloro-3-oxopropoxy)ethyl 2-methylprop-2-enoate?
2-(3-chloro-3-oxopropoxy)ethyl 2-methylprop-2-enoate has a molecular weight of 220.65 g/mol, XLogP of 1.28, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-3-oxopropoxy)ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 87696960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).