1-carbonochloridoyloxyethyl prop-2-enoate

C6H7ClO4 — CID 56990003

IUPAC1-carbonochloridoyloxyethyl prop-2-enoate
SMILESC=CC(=O)OC(C)OC(=O)Cl
InChIInChI=1S/C6H7ClO4/c1-3-5(8)10-4(2)11-6(7)9/h3-4H,1H2,2H3
InChIKeyHAPZSGNEABMSAL-UHFFFAOYSA-N
MW178.57 g/mol
LogP1.44
Rot. Bonds3

About 1-carbonochloridoyloxyethyl prop-2-enoate

1-carbonochloridoyloxyethyl prop-2-enoate (PubChem CID 56990003) has the molecular formula C6H7ClO4 and a molecular weight of 178.57 g/mol. Its IUPAC name is 1-carbonochloridoyloxyethyl prop-2-enoate.

Molecular Properties

Compound Name1-carbonochloridoyloxyethyl prop-2-enoate
PubChem CID56990003
Molecular FormulaC6H7ClO4
Molecular Weight178.57 g/mol
Exact Mass178.00
IUPAC Name1-carbonochloridoyloxyethyl prop-2-enoate
SMILESC=CC(=O)OC(C)OC(=O)Cl
InChIInChI=1S/C6H7ClO4/c1-3-5(8)10-4(2)11-6(7)9/h3-4H,1H2,2H3
InChIKeyHAPZSGNEABMSAL-UHFFFAOYSA-N
XLogP1.44
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.57
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_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-(1-prop-2-enoyloxyethoxy)ethyl prop-2-enoate
CID 18008699
1-prop-2-enoyloxyethyl 2-chloropropanoate
CID 89183597
1-carbonochloridoyloxyethyl 2-methylpropanoate
CID 19067199
1-(propylcarbamoyloxy)ethyl prop-2-enoate
CID 155100969
1-(2-adamantyloxy)ethyl prop-2-enoate
CID 22090699
(1-hydroxy-2-methylpropyl) prop-2-enoate
CID 23103213
1-dimethylarsanylethyl prop-2-enoate
CID 87979584
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-prop-1-enoxyethoxy)ethyl prop-2-enoate
CID 173109179
1-[1-[1-(1-ethoxyethoxy)ethoxy]ethoxy]ethyl prop-2-enoate
CID 174987831
1-[[2,4,6-trioxo-3,5-di(prop-2-enoyloxy)-1,3,5-triazinan-1-yl]oxy]ethyl prop-2-enoate
CID 140564026

Frequently Asked Questions

What is the IUPAC name of 1-carbonochloridoyloxyethyl prop-2-enoate?
The IUPAC name of 1-carbonochloridoyloxyethyl prop-2-enoate (CID 56990003) is 1-carbonochloridoyloxyethyl prop-2-enoate.
What is the SMILES notation for 1-carbonochloridoyloxyethyl prop-2-enoate?
The canonical SMILES for 1-carbonochloridoyloxyethyl prop-2-enoate is C=CC(=O)OC(C)OC(=O)Cl.
What is the InChIKey of 1-carbonochloridoyloxyethyl prop-2-enoate?
The InChIKey is HAPZSGNEABMSAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClO4/c1-3-5(8)10-4(2)11-6(7)9/h3-4H,1H2,2H3.
What are the key properties of 1-carbonochloridoyloxyethyl prop-2-enoate?
1-carbonochloridoyloxyethyl prop-2-enoate has a molecular weight of 178.57 g/mol, XLogP of 1.44, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carbonochloridoyloxyethyl prop-2-enoate is sourced from PubChem (CID 56990003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).