(Z)-dodec-9-enoic acid

C12H22O2 — CID 5312381

IUPAC(Z)-dodec-9-enoic acid
SMILESCC/C=C\CCCCCCCC(=O)O
InChIInChI=1S/C12H22O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h3-4H,2,5-11H2,1H3,(H,13,14)/b4-3-
InChIKeyFKLSONDBCYHMOQ-ARJAWSKDSA-N
MW198.31 g/mol
LogP3.77
Rot. Bonds9

About (Z)-dodec-9-enoic acid

(Z)-dodec-9-enoic acid (PubChem CID 5312381) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is (Z)-dodec-9-enoic acid.

Molecular Properties

Compound Name(Z)-dodec-9-enoic acid
PubChem CID5312381
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Name(Z)-dodec-9-enoic acid
SMILESCC/C=C\CCCCCCCC(=O)O
InChIInChI=1S/C12H22O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h3-4H,2,5-11H2,1H3,(H,13,14)/b4-3-
InChIKeyFKLSONDBCYHMOQ-ARJAWSKDSA-N
XLogP3.77
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 (Z)-dodec-9-enoic acid?
The IUPAC name of (Z)-dodec-9-enoic acid (CID 5312381) is (Z)-dodec-9-enoic acid.
What is the SMILES notation for (Z)-dodec-9-enoic acid?
The canonical SMILES for (Z)-dodec-9-enoic acid is CC/C=C\CCCCCCCC(=O)O.
What is the InChIKey of (Z)-dodec-9-enoic acid?
The InChIKey is FKLSONDBCYHMOQ-ARJAWSKDSA-N. The full InChI is InChI=1S/C12H22O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h3-4H,2,5-11H2,1H3,(H,13,14)/b4-3-.
What are the key properties of (Z)-dodec-9-enoic acid?
(Z)-dodec-9-enoic acid has a molecular weight of 198.31 g/mol, XLogP of 3.77, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-dodec-9-enoic acid is sourced from PubChem (CID 5312381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).