1-prop-2-enoyloxyethyl 2-chloropropanoate

C8H11ClO4 — CID 89183597

IUPAC1-prop-2-enoyloxyethyl 2-chloropropanoate
SMILESC=CC(=O)OC(C)OC(=O)C(C)Cl
InChIInChI=1S/C8H11ClO4/c1-4-7(10)12-6(3)13-8(11)5(2)9/h4-6H,1H2,2-3H3
InChIKeyBESLNNSQPBKMFK-UHFFFAOYSA-N
MW206.62 g/mol
LogP1.23
Rot. Bonds4

About 1-prop-2-enoyloxyethyl 2-chloropropanoate

1-prop-2-enoyloxyethyl 2-chloropropanoate (PubChem CID 89183597) has the molecular formula C8H11ClO4 and a molecular weight of 206.62 g/mol. Its IUPAC name is 1-prop-2-enoyloxyethyl 2-chloropropanoate.

Molecular Properties

Compound Name1-prop-2-enoyloxyethyl 2-chloropropanoate
PubChem CID89183597
Molecular FormulaC8H11ClO4
Molecular Weight206.62 g/mol
Exact Mass206.03
IUPAC Name1-prop-2-enoyloxyethyl 2-chloropropanoate
SMILESC=CC(=O)OC(C)OC(=O)C(C)Cl
InChIInChI=1S/C8H11ClO4/c1-4-7(10)12-6(3)13-8(11)5(2)9/h4-6H,1H2,2-3H3
InChIKeyBESLNNSQPBKMFK-UHFFFAOYSA-N
XLogP1.23
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.62
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-carbonochloridoyloxyethyl prop-2-enoate
CID 56990003
1-(1-prop-2-enoyloxyethoxy)ethyl prop-2-enoate
CID 18008699
3-(2-chloropropanoyloxy)butan-2-yl 2-chloropropanoate
CID 102279540
3-ethenoxybutan-2-yl prop-2-enoate
CID 141368584
1-(propylcarbamoyloxy)ethyl prop-2-enoate
CID 155100969
(1-hydroxy-2-methylpropyl) prop-2-enoate
CID 23103213
1-dimethylarsanylethyl prop-2-enoate
CID 87979584
1-(1-prop-1-enoxyethoxy)ethyl prop-2-enoate
CID 173109179
1-dimethoxyphosphoryloxyethyl prop-2-enoate
CID 21386963
1-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)ethyl prop-2-enoate
CID 154160428
1-[1-[1-(1-ethoxyethoxy)ethoxy]ethoxy]ethyl prop-2-enoate
CID 174987831
1-sulfamoylethyl prop-2-enoate
CID 19880963

Frequently Asked Questions

What is the IUPAC name of 1-prop-2-enoyloxyethyl 2-chloropropanoate?
The IUPAC name of 1-prop-2-enoyloxyethyl 2-chloropropanoate (CID 89183597) is 1-prop-2-enoyloxyethyl 2-chloropropanoate.
What is the SMILES notation for 1-prop-2-enoyloxyethyl 2-chloropropanoate?
The canonical SMILES for 1-prop-2-enoyloxyethyl 2-chloropropanoate is C=CC(=O)OC(C)OC(=O)C(C)Cl.
What is the InChIKey of 1-prop-2-enoyloxyethyl 2-chloropropanoate?
The InChIKey is BESLNNSQPBKMFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClO4/c1-4-7(10)12-6(3)13-8(11)5(2)9/h4-6H,1H2,2-3H3.
What are the key properties of 1-prop-2-enoyloxyethyl 2-chloropropanoate?
1-prop-2-enoyloxyethyl 2-chloropropanoate has a molecular weight of 206.62 g/mol, XLogP of 1.23, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enoyloxyethyl 2-chloropropanoate is sourced from PubChem (CID 89183597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).