(Z)-7-iodohept-5-enoic acid

C7H11IO2 — CID 88643089

IUPAC(Z)-7-iodohept-5-enoic acid
SMILESO=C(O)CCC/C=C\CI
InChIInChI=1S/C7H11IO2/c8-6-4-2-1-3-5-7(9)10/h2,4H,1,3,5-6H2,(H,9,10)/b4-2-
InChIKeyYKIMCQFQXFFUOP-RQOWECAXSA-N
MW254.07 g/mol
LogP2.23
Rot. Bonds5

About (Z)-7-iodohept-5-enoic acid

(Z)-7-iodohept-5-enoic acid (PubChem CID 88643089) has the molecular formula C7H11IO2 and a molecular weight of 254.07 g/mol. Its IUPAC name is (Z)-7-iodohept-5-enoic acid.

Molecular Properties

Compound Name(Z)-7-iodohept-5-enoic acid
PubChem CID88643089
Molecular FormulaC7H11IO2
Molecular Weight254.07 g/mol
Exact Mass253.98
IUPAC Name(Z)-7-iodohept-5-enoic acid
SMILESO=C(O)CCC/C=C\CI
InChIInChI=1S/C7H11IO2/c8-6-4-2-1-3-5-7(9)10/h2,4H,1,3,5-6H2,(H,9,10)/b4-2-
InChIKeyYKIMCQFQXFFUOP-RQOWECAXSA-N
XLogP2.23
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.07
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(Z)-dodec-5-enedioic acid
CID 86751837
14-hydroxytetradec-5-enoic acid
CID 78383968
20-hydroxyicosa-5,14-dienoic acid
CID 85146176
8-hydroxyoct-5-enoic acid
CID 86081855
oct-3-enedioic acid
CID 162155605
14-iodotetradec-7-enoic acid
CID 54286068
(E)-13-iodotridec-10-enoic acid
CID 175218567
(9Z,30Z)-nonatriaconta-9,30-dienedioic acid
CID 151731001
tetradec-6-enedioic acid
CID 151545129
(9Z,33Z)-dotetraconta-9,33-dienedioic acid
CID 87211353
nonatriaconta-9,30-dienedioic acid
CID 151730999
(E)-7-bromohept-5-enoic acid
CID 21298898

Frequently Asked Questions

What is the IUPAC name of (Z)-7-iodohept-5-enoic acid?
The IUPAC name of (Z)-7-iodohept-5-enoic acid (CID 88643089) is (Z)-7-iodohept-5-enoic acid.
What is the SMILES notation for (Z)-7-iodohept-5-enoic acid?
The canonical SMILES for (Z)-7-iodohept-5-enoic acid is O=C(O)CCC/C=C\CI.
What is the InChIKey of (Z)-7-iodohept-5-enoic acid?
The InChIKey is YKIMCQFQXFFUOP-RQOWECAXSA-N. The full InChI is InChI=1S/C7H11IO2/c8-6-4-2-1-3-5-7(9)10/h2,4H,1,3,5-6H2,(H,9,10)/b4-2-.
What are the key properties of (Z)-7-iodohept-5-enoic acid?
(Z)-7-iodohept-5-enoic acid has a molecular weight of 254.07 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-7-iodohept-5-enoic acid is sourced from PubChem (CID 88643089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).