[(E)-20-prop-2-enoyloxyicos-10-enyl] prop-2-enoate

C26H44O4 — CID 101145209

IUPAC[(E)-20-prop-2-enoyloxyicos-10-enyl] prop-2-enoate
SMILESC=CC(=O)OCCCCCCCCC/C=C/CCCCCCCCCOC(=O)C=C
InChIInChI=1S/C26H44O4/c1-3-25(27)29-23-21-19-17-15-13-11-9-7-5-6-8-10-12-14-16-18-20-22-24-30-26(28)4-2/h3-6H,1-2,7-24H2/b6-5+
InChIKeyCUCNRNVQFCQXOT-AATRIKPKSA-N
MW420.63 g/mol
LogP7.24
Rot. Bonds22

About [(E)-20-prop-2-enoyloxyicos-10-enyl] prop-2-enoate

[(E)-20-prop-2-enoyloxyicos-10-enyl] prop-2-enoate (PubChem CID 101145209) has the molecular formula C26H44O4 and a molecular weight of 420.63 g/mol. Its IUPAC name is [(E)-20-prop-2-enoyloxyicos-10-enyl] prop-2-enoate.

Molecular Properties

Compound Name[(E)-20-prop-2-enoyloxyicos-10-enyl] prop-2-enoate
PubChem CID101145209
Molecular FormulaC26H44O4
Molecular Weight420.63 g/mol
Exact Mass420.32
IUPAC Name[(E)-20-prop-2-enoyloxyicos-10-enyl] prop-2-enoate
SMILESC=CC(=O)OCCCCCCCCC/C=C/CCCCCCCCCOC(=O)C=C
InChIInChI=1S/C26H44O4/c1-3-25(27)29-23-21-19-17-15-13-11-9-7-5-6-8-10-12-14-16-18-20-22-24-30-26(28)4-2/h3-6H,1-2,7-24H2/b6-5+
InChIKeyCUCNRNVQFCQXOT-AATRIKPKSA-N
XLogP7.24
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds22
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.63
LogP ≤ 57.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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Related Compounds

[(Z)-dodec-7-enyl] prop-2-enoate
CID 171776211
8-prop-2-enoyloxyoctyl prop-2-enoate
CID 12934232
4-prop-2-enoyloxybutyl prop-2-enoate;6-prop-2-enoyloxyhexyl prop-2-enoate
CID 158256375
10-hydroxydecyl prop-2-enoate
CID 14715958
11-hydroxyundecyl prop-2-enoate
CID 54223498
19-hydroxynonadecyl prop-2-enoate
CID 20625688
12-hydroxydodecyl prop-2-enoate
CID 19859974
azane;3-prop-2-enoyloxypropyl prop-2-enoate
CID 162679005
docosyl prop-2-enoate;henicosyl prop-2-enoate;icosyl prop-2-enoate;tetracosyl prop-2-enoate;tricosyl prop-2-enoate
CID 159127322
decyl prop-2-enoate
CID 162172023
pentatriacontyl prop-2-enoate
CID 141309454
11-fluoroundecyl prop-2-enoate
CID 88673047

Frequently Asked Questions

What is the IUPAC name of [(E)-20-prop-2-enoyloxyicos-10-enyl] prop-2-enoate?
The IUPAC name of [(E)-20-prop-2-enoyloxyicos-10-enyl] prop-2-enoate (CID 101145209) is [(E)-20-prop-2-enoyloxyicos-10-enyl] prop-2-enoate.
What is the SMILES notation for [(E)-20-prop-2-enoyloxyicos-10-enyl] prop-2-enoate?
The canonical SMILES for [(E)-20-prop-2-enoyloxyicos-10-enyl] prop-2-enoate is C=CC(=O)OCCCCCCCCC/C=C/CCCCCCCCCOC(=O)C=C.
What is the InChIKey of [(E)-20-prop-2-enoyloxyicos-10-enyl] prop-2-enoate?
The InChIKey is CUCNRNVQFCQXOT-AATRIKPKSA-N. The full InChI is InChI=1S/C26H44O4/c1-3-25(27)29-23-21-19-17-15-13-11-9-7-5-6-8-10-12-14-16-18-20-22-24-30-26(28)4-2/h3-6H,1-2,7-24H2/b6-5+.
What are the key properties of [(E)-20-prop-2-enoyloxyicos-10-enyl] prop-2-enoate?
[(E)-20-prop-2-enoyloxyicos-10-enyl] prop-2-enoate has a molecular weight of 420.63 g/mol, XLogP of 7.24, 22 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-20-prop-2-enoyloxyicos-10-enyl] prop-2-enoate is sourced from PubChem (CID 101145209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).