(Z)-2-dodec-9-enoyltetradec-2-enal

C26H46O2 — CID 173023649

IUPAC(Z)-2-dodec-9-enoyltetradec-2-enal
SMILESCCC=CCCCCCCCC(=O)/C(C=O)=C\CCCCCCCCCCC
InChIInChI=1S/C26H46O2/c1-3-5-7-9-11-13-15-16-18-20-22-25(24-27)26(28)23-21-19-17-14-12-10-8-6-4-2/h6,8,22,24H,3-5,7,9-21,23H2,1-2H3/b8-6?,25-22-
InChIKeyMQQGJTIVROIPME-NVAANNSCSA-N
MW390.65 g/mol
LogP8.30
Rot. Bonds21

About (Z)-2-dodec-9-enoyltetradec-2-enal

(Z)-2-dodec-9-enoyltetradec-2-enal (PubChem CID 173023649) has the molecular formula C26H46O2 and a molecular weight of 390.65 g/mol. Its IUPAC name is (Z)-2-dodec-9-enoyltetradec-2-enal.

Molecular Properties

Compound Name(Z)-2-dodec-9-enoyltetradec-2-enal
PubChem CID173023649
Molecular FormulaC26H46O2
Molecular Weight390.65 g/mol
Exact Mass390.35
IUPAC Name(Z)-2-dodec-9-enoyltetradec-2-enal
SMILESCCC=CCCCCCCCC(=O)/C(C=O)=C\CCCCCCCCCCC
InChIInChI=1S/C26H46O2/c1-3-5-7-9-11-13-15-16-18-20-22-25(24-27)26(28)23-21-19-17-14-12-10-8-6-4-2/h6,8,22,24H,3-5,7,9-21,23H2,1-2H3/b8-6?,25-22-
InChIKeyMQQGJTIVROIPME-NVAANNSCSA-N
XLogP8.30
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds21
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.65
LogP ≤ 58.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (Z)-2-dodec-9-enoyltetradec-2-enal with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-octylundec-2-enal;pent-2-enal
CID 173412811
2-formyldec-2-enoic acid
CID 175590598
(19E)-19-(2-hydroxyethyl)pentatriaconta-9,19-dien-18-one
CID 91399350
acetic acid;(Z)-dec-3-ene
CID 174912778
(E)-nonacos-3-ene
CID 22172230
(3Z,11Z)-heptadeca-3,11-diene
CID 91750518
(Z)-tridec-3-ene
CID 5362711
octacos-3-ene
CID 54171253
(E)-heptadec-3-ene
CID 5352250
(3E,13E)-nonadeca-3,13-diene
CID 141029609
(E)-octadec-3-ene
CID 5365984
(9E,12E,15E)-octadeca-9,12,15-trienoic acid;(E)-octadec-9-enoic acid
CID 88741992

Frequently Asked Questions

What is the IUPAC name of (Z)-2-dodec-9-enoyltetradec-2-enal?
The IUPAC name of (Z)-2-dodec-9-enoyltetradec-2-enal (CID 173023649) is (Z)-2-dodec-9-enoyltetradec-2-enal.
What is the SMILES notation for (Z)-2-dodec-9-enoyltetradec-2-enal?
The canonical SMILES for (Z)-2-dodec-9-enoyltetradec-2-enal is CCC=CCCCCCCCC(=O)/C(C=O)=C\CCCCCCCCCCC.
What is the InChIKey of (Z)-2-dodec-9-enoyltetradec-2-enal?
The InChIKey is MQQGJTIVROIPME-NVAANNSCSA-N. The full InChI is InChI=1S/C26H46O2/c1-3-5-7-9-11-13-15-16-18-20-22-25(24-27)26(28)23-21-19-17-14-12-10-8-6-4-2/h6,8,22,24H,3-5,7,9-21,23H2,1-2H3/b8-6?,25-22-.
What are the key properties of (Z)-2-dodec-9-enoyltetradec-2-enal?
(Z)-2-dodec-9-enoyltetradec-2-enal has a molecular weight of 390.65 g/mol, XLogP of 8.30, 21 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-dodec-9-enoyltetradec-2-enal is sourced from PubChem (CID 173023649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).