(Z)-4-dodec-7-enoxy-4-oxobut-2-enoic acid

C16H26O4 — CID 156869813

IUPAC(Z)-4-dodec-7-enoxy-4-oxobut-2-enoic acid
SMILESCCCCC=CCCCCCCOC(=O)/C=C\C(=O)O
InChIInChI=1S/C16H26O4/c1-2-3-4-5-6-7-8-9-10-11-14-20-16(19)13-12-15(17)18/h5-6,12-13H,2-4,7-11,14H2,1H3,(H,17,18)/b6-5?,13-12-
InChIKeyJZJKLDRRELWTEB-WSHYUYFYSA-N
MW282.38 g/mol
LogP3.87
Rot. Bonds12

About (Z)-4-dodec-7-enoxy-4-oxobut-2-enoic acid

(Z)-4-dodec-7-enoxy-4-oxobut-2-enoic acid (PubChem CID 156869813) has the molecular formula C16H26O4 and a molecular weight of 282.38 g/mol. Its IUPAC name is (Z)-4-dodec-7-enoxy-4-oxobut-2-enoic acid.

Molecular Properties

Compound Name(Z)-4-dodec-7-enoxy-4-oxobut-2-enoic acid
PubChem CID156869813
Molecular FormulaC16H26O4
Molecular Weight282.38 g/mol
Exact Mass282.18
IUPAC Name(Z)-4-dodec-7-enoxy-4-oxobut-2-enoic acid
SMILESCCCCC=CCCCCCCOC(=O)/C=C\C(=O)O
InChIInChI=1S/C16H26O4/c1-2-3-4-5-6-7-8-9-10-11-14-20-16(19)13-12-15(17)18/h5-6,12-13H,2-4,7-11,14H2,1H3,(H,17,18)/b6-5?,13-12-
InChIKeyJZJKLDRRELWTEB-WSHYUYFYSA-N
XLogP3.87
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 53.87
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'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

bis(dodec-7-enyl) (Z)-but-2-enedioate
CID 175499448
bis[(E)-octadec-9-enyl] (E)-but-2-enedioate
CID 6436864
(Z)-but-2-enedioic acid;dihexyl (Z)-but-2-enedioate
CID 162327532
butane;(Z)-4-hexoxy-4-oxobut-2-enoic acid
CID 87152048
tetrasodium;(E)-but-2-enedioic acid;bis(dioctadecyl (E)-but-2-enedioate)
CID 174523297
(Z)-4-decoxy-4-oxobut-2-enoic acid;hydrochloride
CID 87872279
4-octadecoxy-4-oxobut-2-enoic acid;dihydrate
CID 158282603
pentadecyl icos-2-enoate
CID 175935360
potassium;hydride;(E)-4-octadecoxy-4-oxobut-2-enoic acid
CID 173069709
heptyl icos-2-enoate
CID 91580884
dodecyl octadec-2-enoate
CID 71338613
tetratriacontyl icos-2-enoate
CID 175935411

Frequently Asked Questions

What is the IUPAC name of (Z)-4-dodec-7-enoxy-4-oxobut-2-enoic acid?
The IUPAC name of (Z)-4-dodec-7-enoxy-4-oxobut-2-enoic acid (CID 156869813) is (Z)-4-dodec-7-enoxy-4-oxobut-2-enoic acid.
What is the SMILES notation for (Z)-4-dodec-7-enoxy-4-oxobut-2-enoic acid?
The canonical SMILES for (Z)-4-dodec-7-enoxy-4-oxobut-2-enoic acid is CCCCC=CCCCCCCOC(=O)/C=C\C(=O)O.
What is the InChIKey of (Z)-4-dodec-7-enoxy-4-oxobut-2-enoic acid?
The InChIKey is JZJKLDRRELWTEB-WSHYUYFYSA-N. The full InChI is InChI=1S/C16H26O4/c1-2-3-4-5-6-7-8-9-10-11-14-20-16(19)13-12-15(17)18/h5-6,12-13H,2-4,7-11,14H2,1H3,(H,17,18)/b6-5?,13-12-.
What are the key properties of (Z)-4-dodec-7-enoxy-4-oxobut-2-enoic acid?
(Z)-4-dodec-7-enoxy-4-oxobut-2-enoic acid has a molecular weight of 282.38 g/mol, XLogP of 3.87, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-dodec-7-enoxy-4-oxobut-2-enoic acid is sourced from PubChem (CID 156869813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).