(3R)-3-dodec-5-enoyloxydecanoic acid

C22H40O4 — CID 71351193

IUPAC(3R)-3-dodec-5-enoyloxydecanoic acid
SMILESCCCCCCC=CCCCC(=O)O[C@H](CCCCCCC)CC(=O)O
InChIInChI=1S/C22H40O4/c1-3-5-7-9-10-11-12-14-16-18-22(25)26-20(19-21(23)24)17-15-13-8-6-4-2/h11-12,20H,3-10,13-19H2,1-2H3,(H,23,24)/t20-/m1/s1
InChIKeyUIFQRAADLSRGCS-HXUWFJFHSA-N
MW368.56 g/mol
LogP6.43
Rot. Bonds18

About (3R)-3-dodec-5-enoyloxydecanoic acid

(3R)-3-dodec-5-enoyloxydecanoic acid (PubChem CID 71351193) has the molecular formula C22H40O4 and a molecular weight of 368.56 g/mol. Its IUPAC name is (3R)-3-dodec-5-enoyloxydecanoic acid.

Molecular Properties

Compound Name(3R)-3-dodec-5-enoyloxydecanoic acid
PubChem CID71351193
Molecular FormulaC22H40O4
Molecular Weight368.56 g/mol
Exact Mass368.29
IUPAC Name(3R)-3-dodec-5-enoyloxydecanoic acid
SMILESCCCCCCC=CCCCC(=O)O[C@H](CCCCCCC)CC(=O)O
InChIInChI=1S/C22H40O4/c1-3-5-7-9-10-11-12-14-16-18-22(25)26-20(19-21(23)24)17-15-13-8-6-4-2/h11-12,20H,3-10,13-19H2,1-2H3,(H,23,24)/t20-/m1/s1
InChIKeyUIFQRAADLSRGCS-HXUWFJFHSA-N
XLogP6.43
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.56
LogP ≤ 56.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[(Z)-dodec-5-enoyl]oxyoctanoic acid
CID 171120168
3-[(Z)-docos-13-enoyl]oxydodecanoic acid
CID 171117432
3-[(Z)-icos-11-enoyl]oxyhexadecanoic acid
CID 134760037
3-[(Z)-heptadec-10-enoyl]oxydocosanoic acid
CID 134775732
3-[(Z)-pentadec-9-enoyl]oxyundecanoic acid
CID 171117594
3-[(Z)-tetradec-7-enoyl]oxydodecanoic acid
CID 171120171
3-[(Z)-nonadec-10-enoyl]oxytridecanoic acid
CID 171117562
(Z)-3-decanoyloxyhexadec-9-enoic acid
CID 171120163
3-[(Z)-hexadec-9-enoyl]oxyoctanoic acid
CID 171117495
3-[(Z)-hexadec-9-enoyl]oxytridecanoic acid
CID 171117555
3-[(Z)-nonadec-10-enoyl]oxyundecanoic acid
CID 171117603
3-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyl]oxyheptadecanoic acid
CID 134750931

Frequently Asked Questions

What is the IUPAC name of (3R)-3-dodec-5-enoyloxydecanoic acid?
The IUPAC name of (3R)-3-dodec-5-enoyloxydecanoic acid (CID 71351193) is (3R)-3-dodec-5-enoyloxydecanoic acid.
What is the SMILES notation for (3R)-3-dodec-5-enoyloxydecanoic acid?
The canonical SMILES for (3R)-3-dodec-5-enoyloxydecanoic acid is CCCCCCC=CCCCC(=O)O[C@H](CCCCCCC)CC(=O)O.
What is the InChIKey of (3R)-3-dodec-5-enoyloxydecanoic acid?
The InChIKey is UIFQRAADLSRGCS-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H40O4/c1-3-5-7-9-10-11-12-14-16-18-22(25)26-20(19-21(23)24)17-15-13-8-6-4-2/h11-12,20H,3-10,13-19H2,1-2H3,(H,23,24)/t20-/m1/s1.
What are the key properties of (3R)-3-dodec-5-enoyloxydecanoic acid?
(3R)-3-dodec-5-enoyloxydecanoic acid has a molecular weight of 368.56 g/mol, XLogP of 6.43, 18 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-dodec-5-enoyloxydecanoic acid is sourced from PubChem (CID 71351193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).