2-[2,3-bis(3-oxopent-4-enylperoxy)propoxy]ethyl prop-2-enoate

C18H26O9 — CID 89419358

IUPAC2-[2,3-bis(3-oxopent-4-enylperoxy)propoxy]ethyl prop-2-enoate
SMILESC=CC(=O)CCOOCC(COCCOC(=O)C=C)OOCCC(=O)C=C
InChIInChI=1S/C18H26O9/c1-4-15(19)7-9-24-26-14-17(27-25-10-8-16(20)5-2)13-22-11-12-23-18(21)6-3/h4-6,17H,1-3,7-14H2
InChIKeyHNGAKEVKEXSFHH-UHFFFAOYSA-N
MW386.40 g/mol
LogP1.29
Rot. Bonds19

About 2-[2,3-bis(3-oxopent-4-enylperoxy)propoxy]ethyl prop-2-enoate

2-[2,3-bis(3-oxopent-4-enylperoxy)propoxy]ethyl prop-2-enoate (PubChem CID 89419358) has the molecular formula C18H26O9 and a molecular weight of 386.40 g/mol. Its IUPAC name is 2-[2,3-bis(3-oxopent-4-enylperoxy)propoxy]ethyl prop-2-enoate.

Molecular Properties

Compound Name2-[2,3-bis(3-oxopent-4-enylperoxy)propoxy]ethyl prop-2-enoate
PubChem CID89419358
Molecular FormulaC18H26O9
Molecular Weight386.40 g/mol
Exact Mass386.16
IUPAC Name2-[2,3-bis(3-oxopent-4-enylperoxy)propoxy]ethyl prop-2-enoate
SMILESC=CC(=O)CCOOCC(COCCOC(=O)C=C)OOCCC(=O)C=C
InChIInChI=1S/C18H26O9/c1-4-15(19)7-9-24-26-14-17(27-25-10-8-16(20)5-2)13-22-11-12-23-18(21)6-3/h4-6,17H,1-3,7-14H2
InChIKeyHNGAKEVKEXSFHH-UHFFFAOYSA-N
XLogP1.29
TPSA106.59 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds19
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.40
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2,3-bis(3-oxopent-4-enylperoxy)propoxy]ethyl prop-2-enoate?
The IUPAC name of 2-[2,3-bis(3-oxopent-4-enylperoxy)propoxy]ethyl prop-2-enoate (CID 89419358) is 2-[2,3-bis(3-oxopent-4-enylperoxy)propoxy]ethyl prop-2-enoate.
What is the SMILES notation for 2-[2,3-bis(3-oxopent-4-enylperoxy)propoxy]ethyl prop-2-enoate?
The canonical SMILES for 2-[2,3-bis(3-oxopent-4-enylperoxy)propoxy]ethyl prop-2-enoate is C=CC(=O)CCOOCC(COCCOC(=O)C=C)OOCCC(=O)C=C.
What is the InChIKey of 2-[2,3-bis(3-oxopent-4-enylperoxy)propoxy]ethyl prop-2-enoate?
The InChIKey is HNGAKEVKEXSFHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O9/c1-4-15(19)7-9-24-26-14-17(27-25-10-8-16(20)5-2)13-22-11-12-23-18(21)6-3/h4-6,17H,1-3,7-14H2.
What are the key properties of 2-[2,3-bis(3-oxopent-4-enylperoxy)propoxy]ethyl prop-2-enoate?
2-[2,3-bis(3-oxopent-4-enylperoxy)propoxy]ethyl prop-2-enoate has a molecular weight of 386.40 g/mol, XLogP of 1.29, 19 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,3-bis(3-oxopent-4-enylperoxy)propoxy]ethyl prop-2-enoate is sourced from PubChem (CID 89419358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).