methyl 2-dodec-11-enyltetradec-13-enoate

C27H50O2 — CID 102509343

IUPACmethyl 2-dodec-11-enyltetradec-13-enoate
SMILESC=CCCCCCCCCCCC(CCCCCCCCCCC=C)C(=O)OC
InChIInChI=1S/C27H50O2/c1-4-6-8-10-12-14-16-18-20-22-24-26(27(28)29-3)25-23-21-19-17-15-13-11-9-7-5-2/h4-5,26H,1-2,6-25H2,3H3
InChIKeyXSNKXPQDSFLQCL-UHFFFAOYSA-N
MW406.70 g/mol
LogP8.95
Rot. Bonds23

About methyl 2-dodec-11-enyltetradec-13-enoate

methyl 2-dodec-11-enyltetradec-13-enoate (PubChem CID 102509343) has the molecular formula C27H50O2 and a molecular weight of 406.70 g/mol. Its IUPAC name is methyl 2-dodec-11-enyltetradec-13-enoate.

Molecular Properties

Compound Namemethyl 2-dodec-11-enyltetradec-13-enoate
PubChem CID102509343
Molecular FormulaC27H50O2
Molecular Weight406.70 g/mol
Exact Mass406.38
IUPAC Namemethyl 2-dodec-11-enyltetradec-13-enoate
SMILESC=CCCCCCCCCCCC(CCCCCCCCCCC=C)C(=O)OC
InChIInChI=1S/C27H50O2/c1-4-6-8-10-12-14-16-18-20-22-24-26(27(28)29-3)25-23-21-19-17-15-13-11-9-7-5-2/h4-5,26H,1-2,6-25H2,3H3
InChIKeyXSNKXPQDSFLQCL-UHFFFAOYSA-N
XLogP8.95
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds23
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.70
LogP ≤ 58.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 2-dodec-11-enyltetradec-13-enoate?
The IUPAC name of methyl 2-dodec-11-enyltetradec-13-enoate (CID 102509343) is methyl 2-dodec-11-enyltetradec-13-enoate.
What is the SMILES notation for methyl 2-dodec-11-enyltetradec-13-enoate?
The canonical SMILES for methyl 2-dodec-11-enyltetradec-13-enoate is C=CCCCCCCCCCCC(CCCCCCCCCCC=C)C(=O)OC.
What is the InChIKey of methyl 2-dodec-11-enyltetradec-13-enoate?
The InChIKey is XSNKXPQDSFLQCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H50O2/c1-4-6-8-10-12-14-16-18-20-22-24-26(27(28)29-3)25-23-21-19-17-15-13-11-9-7-5-2/h4-5,26H,1-2,6-25H2,3H3.
What are the key properties of methyl 2-dodec-11-enyltetradec-13-enoate?
methyl 2-dodec-11-enyltetradec-13-enoate has a molecular weight of 406.70 g/mol, XLogP of 8.95, 23 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-dodec-11-enyltetradec-13-enoate is sourced from PubChem (CID 102509343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).