2-chloroethyl prop-2-enoate

C5H7ClO2 — CID 16627

IUPAC2-chloroethyl prop-2-enoate
SMILESC=CC(=O)OCCCl
InChIInChI=1S/C5H7ClO2/c1-2-5(7)8-4-3-6/h2H,1,3-4H2
InChIKeyWHBAYNMEIXUTJV-UHFFFAOYSA-N
MW134.56 g/mol
LogP0.95
Rot. Bonds3

About 2-chloroethyl prop-2-enoate

2-chloroethyl prop-2-enoate (PubChem CID 16627) has the molecular formula C5H7ClO2 and a molecular weight of 134.56 g/mol. Its IUPAC name is 2-chloroethyl prop-2-enoate.

Molecular Properties

Compound Name2-chloroethyl prop-2-enoate
PubChem CID16627
Molecular FormulaC5H7ClO2
Molecular Weight134.56 g/mol
Exact Mass134.01
IUPAC Name2-chloroethyl prop-2-enoate
SMILESC=CC(=O)OCCCl
InChIInChI=1S/C5H7ClO2/c1-2-5(7)8-4-3-6/h2H,1,3-4H2
InChIKeyWHBAYNMEIXUTJV-UHFFFAOYSA-N
XLogP0.95
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.56
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloroethyl prop-2-enoate;ruthenium
CID 90254573
2-prop-2-enoyloxyethyl prop-2-enoate;zinc
CID 88622091
(5-chloro-4-hydroxypentyl) prop-2-enoate
CID 173355763
azane;3-prop-2-enoyloxypropyl prop-2-enoate
CID 162679005
8-prop-2-enoyloxyoctyl prop-2-enoate
CID 12934232
4-prop-2-enoyloxybutyl prop-2-enoate;6-prop-2-enoyloxyhexyl prop-2-enoate
CID 158256375
ethane-1,2-diol;prop-2-enoyl chloride;2-prop-2-enoyloxyethyl prop-2-enoate
CID 160715574
3,4-dichlorobutyl prop-2-enoate
CID 139672825
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-prop-2-enoyloxyethylperoxy)ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethoxy]ethyl prop-2-enoate
CID 135130326
2-hydroxyethyl prop-2-enoate;isocyanic acid
CID 88778139
2-[acetyl(chloro)carbamoyl]oxyethyl prop-2-enoate
CID 87456426
(3-chloro-4-hydroxybutyl) prop-2-enoate
CID 88836729

Frequently Asked Questions

What is the IUPAC name of 2-chloroethyl prop-2-enoate?
The IUPAC name of 2-chloroethyl prop-2-enoate (CID 16627) is 2-chloroethyl prop-2-enoate.
What is the SMILES notation for 2-chloroethyl prop-2-enoate?
The canonical SMILES for 2-chloroethyl prop-2-enoate is C=CC(=O)OCCCl.
What is the InChIKey of 2-chloroethyl prop-2-enoate?
The InChIKey is WHBAYNMEIXUTJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7ClO2/c1-2-5(7)8-4-3-6/h2H,1,3-4H2.
What are the key properties of 2-chloroethyl prop-2-enoate?
2-chloroethyl prop-2-enoate has a molecular weight of 134.56 g/mol, XLogP of 0.95, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloroethyl prop-2-enoate is sourced from PubChem (CID 16627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).