2-(prop-2-enoyloxymethyl)dodec-11-enyl prop-2-enoate

C19H30O4 — CID 58231905

IUPAC2-(prop-2-enoyloxymethyl)dodec-11-enyl prop-2-enoate
SMILESC=CCCCCCCCCC(COC(=O)C=C)COC(=O)C=C
InChIInChI=1S/C19H30O4/c1-4-7-8-9-10-11-12-13-14-17(15-22-18(20)5-2)16-23-19(21)6-3/h4-6,17H,1-3,7-16H2
InChIKeyAXGCMSTXWBTRQS-UHFFFAOYSA-N
MW322.45 g/mol
LogP4.37
Rot. Bonds15

About 2-(prop-2-enoyloxymethyl)dodec-11-enyl prop-2-enoate

2-(prop-2-enoyloxymethyl)dodec-11-enyl prop-2-enoate (PubChem CID 58231905) has the molecular formula C19H30O4 and a molecular weight of 322.45 g/mol. Its IUPAC name is 2-(prop-2-enoyloxymethyl)dodec-11-enyl prop-2-enoate.

Molecular Properties

Compound Name2-(prop-2-enoyloxymethyl)dodec-11-enyl prop-2-enoate
PubChem CID58231905
Molecular FormulaC19H30O4
Molecular Weight322.45 g/mol
Exact Mass322.21
IUPAC Name2-(prop-2-enoyloxymethyl)dodec-11-enyl prop-2-enoate
SMILESC=CCCCCCCCCC(COC(=O)C=C)COC(=O)C=C
InChIInChI=1S/C19H30O4/c1-4-7-8-9-10-11-12-13-14-17(15-22-18(20)5-2)16-23-19(21)6-3/h4-6,17H,1-3,7-16H2
InChIKeyAXGCMSTXWBTRQS-UHFFFAOYSA-N
XLogP4.37
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 54.37
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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Frequently Asked Questions

What is the IUPAC name of 2-(prop-2-enoyloxymethyl)dodec-11-enyl prop-2-enoate?
The IUPAC name of 2-(prop-2-enoyloxymethyl)dodec-11-enyl prop-2-enoate (CID 58231905) is 2-(prop-2-enoyloxymethyl)dodec-11-enyl prop-2-enoate.
What is the SMILES notation for 2-(prop-2-enoyloxymethyl)dodec-11-enyl prop-2-enoate?
The canonical SMILES for 2-(prop-2-enoyloxymethyl)dodec-11-enyl prop-2-enoate is C=CCCCCCCCCC(COC(=O)C=C)COC(=O)C=C.
What is the InChIKey of 2-(prop-2-enoyloxymethyl)dodec-11-enyl prop-2-enoate?
The InChIKey is AXGCMSTXWBTRQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30O4/c1-4-7-8-9-10-11-12-13-14-17(15-22-18(20)5-2)16-23-19(21)6-3/h4-6,17H,1-3,7-16H2.
What are the key properties of 2-(prop-2-enoyloxymethyl)dodec-11-enyl prop-2-enoate?
2-(prop-2-enoyloxymethyl)dodec-11-enyl prop-2-enoate has a molecular weight of 322.45 g/mol, XLogP of 4.37, 15 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(prop-2-enoyloxymethyl)dodec-11-enyl prop-2-enoate is sourced from PubChem (CID 58231905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).