(1-chloro-2-ethoxyethyl) prop-2-enoate

C7H11ClO3 — CID 174760133

IUPAC(1-chloro-2-ethoxyethyl) prop-2-enoate
SMILESC=CC(=O)OC(Cl)COCC
InChIInChI=1S/C7H11ClO3/c1-3-7(9)11-6(8)5-10-4-2/h3,6H,1,4-5H2,2H3
InChIKeyCNCLYUSPBLSDOS-UHFFFAOYSA-N
MW178.61 g/mol
LogP1.32
Rot. Bonds5

About (1-chloro-2-ethoxyethyl) prop-2-enoate

(1-chloro-2-ethoxyethyl) prop-2-enoate (PubChem CID 174760133) has the molecular formula C7H11ClO3 and a molecular weight of 178.61 g/mol. Its IUPAC name is (1-chloro-2-ethoxyethyl) prop-2-enoate.

Molecular Properties

Compound Name(1-chloro-2-ethoxyethyl) prop-2-enoate
PubChem CID174760133
Molecular FormulaC7H11ClO3
Molecular Weight178.61 g/mol
Exact Mass178.04
IUPAC Name(1-chloro-2-ethoxyethyl) prop-2-enoate
SMILESC=CC(=O)OC(Cl)COCC
InChIInChI=1S/C7H11ClO3/c1-3-7(9)11-6(8)5-10-4-2/h3,6H,1,4-5H2,2H3
InChIKeyCNCLYUSPBLSDOS-UHFFFAOYSA-N
XLogP1.32
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.61
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

ethoxyethane;1-hydroxypropyl prop-2-enoate
CID 174930262
chloroform;methyl prop-2-enoate
CID 123529405
[(1S)-1-hydroxypropyl] prop-2-enoate
CID 88739010
CID 172734708
CID 172734708
[ethoxy(methoxy)methyl] prop-2-enoate
CID 87919387
(2-ethyl-1-hydroxy-2-methylbutyl) prop-2-enoate
CID 154606970
ethoxyethane;1-trimethoxysilylbutyl prop-2-enoate
CID 174844646
bis(methyl prop-2-enoate);propane
CID 160610529
1-prop-2-enoxypentan-2-yl prop-2-enoate
CID 171774459
1-[1-[1-(1-ethoxyethoxy)ethoxy]ethoxy]ethyl prop-2-enoate
CID 174987831
1-chlorododecyl prop-2-enoate;pyridine
CID 146356185
1-(carbamoylamino)propyl prop-2-enoate
CID 87391559

Frequently Asked Questions

What is the IUPAC name of (1-chloro-2-ethoxyethyl) prop-2-enoate?
The IUPAC name of (1-chloro-2-ethoxyethyl) prop-2-enoate (CID 174760133) is (1-chloro-2-ethoxyethyl) prop-2-enoate.
What is the SMILES notation for (1-chloro-2-ethoxyethyl) prop-2-enoate?
The canonical SMILES for (1-chloro-2-ethoxyethyl) prop-2-enoate is C=CC(=O)OC(Cl)COCC.
What is the InChIKey of (1-chloro-2-ethoxyethyl) prop-2-enoate?
The InChIKey is CNCLYUSPBLSDOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11ClO3/c1-3-7(9)11-6(8)5-10-4-2/h3,6H,1,4-5H2,2H3.
What are the key properties of (1-chloro-2-ethoxyethyl) prop-2-enoate?
(1-chloro-2-ethoxyethyl) prop-2-enoate has a molecular weight of 178.61 g/mol, XLogP of 1.32, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-chloro-2-ethoxyethyl) prop-2-enoate is sourced from PubChem (CID 174760133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).