2-[2-(4-oxohex-5-enoyloxy)ethoxy]ethyl 4-oxohept-6-enoate

C17H24O7 — CID 58427499

IUPAC2-[2-(4-oxohex-5-enoyloxy)ethoxy]ethyl 4-oxohept-6-enoate
SMILESC=CCC(=O)CCC(=O)OCCOCCOC(=O)CCC(=O)C=C
InChIInChI=1S/C17H24O7/c1-3-5-15(19)7-9-17(21)24-13-11-22-10-12-23-16(20)8-6-14(18)4-2/h3-4H,1-2,5-13H2
InChIKeyRNALQVMSGGBXOM-UHFFFAOYSA-N
MW340.37 g/mol
LogP1.55
Rot. Bonds15

About 2-[2-(4-oxohex-5-enoyloxy)ethoxy]ethyl 4-oxohept-6-enoate

2-[2-(4-oxohex-5-enoyloxy)ethoxy]ethyl 4-oxohept-6-enoate (PubChem CID 58427499) has the molecular formula C17H24O7 and a molecular weight of 340.37 g/mol. Its IUPAC name is 2-[2-(4-oxohex-5-enoyloxy)ethoxy]ethyl 4-oxohept-6-enoate.

Molecular Properties

Compound Name2-[2-(4-oxohex-5-enoyloxy)ethoxy]ethyl 4-oxohept-6-enoate
PubChem CID58427499
Molecular FormulaC17H24O7
Molecular Weight340.37 g/mol
Exact Mass340.15
IUPAC Name2-[2-(4-oxohex-5-enoyloxy)ethoxy]ethyl 4-oxohept-6-enoate
SMILESC=CCC(=O)CCC(=O)OCCOCCOC(=O)CCC(=O)C=C
InChIInChI=1S/C17H24O7/c1-3-5-15(19)7-9-17(21)24-13-11-22-10-12-23-16(20)8-6-14(18)4-2/h3-4H,1-2,5-13H2
InChIKeyRNALQVMSGGBXOM-UHFFFAOYSA-N
XLogP1.55
TPSA95.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds15
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.37
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-oxohex-5-enoyloxy)ethoxy]ethyl 4-oxohept-6-enoate?
The IUPAC name of 2-[2-(4-oxohex-5-enoyloxy)ethoxy]ethyl 4-oxohept-6-enoate (CID 58427499) is 2-[2-(4-oxohex-5-enoyloxy)ethoxy]ethyl 4-oxohept-6-enoate.
What is the SMILES notation for 2-[2-(4-oxohex-5-enoyloxy)ethoxy]ethyl 4-oxohept-6-enoate?
The canonical SMILES for 2-[2-(4-oxohex-5-enoyloxy)ethoxy]ethyl 4-oxohept-6-enoate is C=CCC(=O)CCC(=O)OCCOCCOC(=O)CCC(=O)C=C.
What is the InChIKey of 2-[2-(4-oxohex-5-enoyloxy)ethoxy]ethyl 4-oxohept-6-enoate?
The InChIKey is RNALQVMSGGBXOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O7/c1-3-5-15(19)7-9-17(21)24-13-11-22-10-12-23-16(20)8-6-14(18)4-2/h3-4H,1-2,5-13H2.
What are the key properties of 2-[2-(4-oxohex-5-enoyloxy)ethoxy]ethyl 4-oxohept-6-enoate?
2-[2-(4-oxohex-5-enoyloxy)ethoxy]ethyl 4-oxohept-6-enoate has a molecular weight of 340.37 g/mol, XLogP of 1.55, 15 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-oxohex-5-enoyloxy)ethoxy]ethyl 4-oxohept-6-enoate is sourced from PubChem (CID 58427499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).