ethyl 5-carbonochloridoyl-2-prop-1-en-2-yl-2,3-dihydrofuran-4-carboxylate

C11H13ClO4 — CID 10681772

IUPACethyl 5-carbonochloridoyl-2-prop-1-en-2-yl-2,3-dihydrofuran-4-carboxylate
SMILESC=C(C)C1CC(C(=O)OCC)=C(C(=O)Cl)O1
InChIInChI=1S/C11H13ClO4/c1-4-15-11(14)7-5-8(6(2)3)16-9(7)10(12)13/h8H,2,4-5H2,1,3H3
InChIKeyXWHWCLITZZLIBM-UHFFFAOYSA-N
MW244.67 g/mol
LogP1.93
Rot. Bonds4

About ethyl 5-carbonochloridoyl-2-prop-1-en-2-yl-2,3-dihydrofuran-4-carboxylate

ethyl 5-carbonochloridoyl-2-prop-1-en-2-yl-2,3-dihydrofuran-4-carboxylate (PubChem CID 10681772) has the molecular formula C11H13ClO4 and a molecular weight of 244.67 g/mol. Its IUPAC name is ethyl 5-carbonochloridoyl-2-prop-1-en-2-yl-2,3-dihydrofuran-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-carbonochloridoyl-2-prop-1-en-2-yl-2,3-dihydrofuran-4-carboxylate
PubChem CID10681772
Molecular FormulaC11H13ClO4
Molecular Weight244.67 g/mol
Exact Mass244.05
IUPAC Nameethyl 5-carbonochloridoyl-2-prop-1-en-2-yl-2,3-dihydrofuran-4-carboxylate
SMILESC=C(C)C1CC(C(=O)OCC)=C(C(=O)Cl)O1
InChIInChI=1S/C11H13ClO4/c1-4-15-11(14)7-5-8(6(2)3)16-9(7)10(12)13/h8H,2,4-5H2,1,3H3
InChIKeyXWHWCLITZZLIBM-UHFFFAOYSA-N
XLogP1.93
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.67
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Dimethyl 2-prop-1-en-2-yl-2,3-dihydrofuran-4,5-dicarboxylate
CID 10489417
Methyl 5-methyl-2-prop-1-en-2-yl-2,3-dihydrofuran-4-carboxylate
CID 10535428
Ethyl 5-formyl-2-prop-1-en-2-yl-2,3-dihydrofuran-4-carboxylate
CID 10608504
Methyl 5-carbonochloridoyl-2-prop-1-en-2-yl-2,3-dihydrofuran-4-carboxylate
CID 10681002
Ethyl 5-acetyl-2-prop-1-en-2-yl-2,3-dihydrofuran-4-carboxylate
CID 10751604
Diethyl 2-prop-1-en-2-yl-2,3-dihydrofuran-4,5-dicarboxylate
CID 10848531
Methyl 5-(2-chloro-2-oxoethyl)-2-prop-1-en-2-yl-2,3-dihydrofuran-4-carboxylate
CID 21784172
Dimethyl 2-ethyl-2,3-dihydrofuran-4,5-dicarboxylate
CID 131853922
methyl 2-[(4-chloro-3-methyl-5-oxo-2H-furan-2-yl)methyl]prop-2-enoate
CID 142867686

Frequently Asked Questions

What is the IUPAC name of ethyl 5-carbonochloridoyl-2-prop-1-en-2-yl-2,3-dihydrofuran-4-carboxylate?
The IUPAC name of ethyl 5-carbonochloridoyl-2-prop-1-en-2-yl-2,3-dihydrofuran-4-carboxylate (CID 10681772) is ethyl 5-carbonochloridoyl-2-prop-1-en-2-yl-2,3-dihydrofuran-4-carboxylate.
What is the SMILES notation for ethyl 5-carbonochloridoyl-2-prop-1-en-2-yl-2,3-dihydrofuran-4-carboxylate?
The canonical SMILES for ethyl 5-carbonochloridoyl-2-prop-1-en-2-yl-2,3-dihydrofuran-4-carboxylate is C=C(C)C1CC(C(=O)OCC)=C(C(=O)Cl)O1.
What is the InChIKey of ethyl 5-carbonochloridoyl-2-prop-1-en-2-yl-2,3-dihydrofuran-4-carboxylate?
The InChIKey is XWHWCLITZZLIBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClO4/c1-4-15-11(14)7-5-8(6(2)3)16-9(7)10(12)13/h8H,2,4-5H2,1,3H3.
What are the key properties of ethyl 5-carbonochloridoyl-2-prop-1-en-2-yl-2,3-dihydrofuran-4-carboxylate?
ethyl 5-carbonochloridoyl-2-prop-1-en-2-yl-2,3-dihydrofuran-4-carboxylate has a molecular weight of 244.67 g/mol, XLogP of 1.93, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-carbonochloridoyl-2-prop-1-en-2-yl-2,3-dihydrofuran-4-carboxylate is sourced from PubChem (CID 10681772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).