(Z)-8-(5-oxocyclopent-2-en-1-yl)oct-7-enoic acid

C13H18O3 — CID 163471658

IUPAC(Z)-8-(5-oxocyclopent-2-en-1-yl)oct-7-enoic acid
SMILESO=C(O)CCCCC/C=C\C1C=CCC1=O
InChIInChI=1S/C13H18O3/c14-12-9-6-8-11(12)7-4-2-1-3-5-10-13(15)16/h4,6-8,11H,1-3,5,9-10H2,(H,15,16)/b7-4-
InChIKeyBXADUKFTJIJRML-DAXSKMNVSA-N
MW222.28 g/mol
LogP2.72
Rot. Bonds7

About (Z)-8-(5-oxocyclopent-2-en-1-yl)oct-7-enoic acid

(Z)-8-(5-oxocyclopent-2-en-1-yl)oct-7-enoic acid (PubChem CID 163471658) has the molecular formula C13H18O3 and a molecular weight of 222.28 g/mol. Its IUPAC name is (Z)-8-(5-oxocyclopent-2-en-1-yl)oct-7-enoic acid.

Molecular Properties

Compound Name(Z)-8-(5-oxocyclopent-2-en-1-yl)oct-7-enoic acid
PubChem CID163471658
Molecular FormulaC13H18O3
Molecular Weight222.28 g/mol
Exact Mass222.13
IUPAC Name(Z)-8-(5-oxocyclopent-2-en-1-yl)oct-7-enoic acid
SMILESO=C(O)CCCCC/C=C\C1C=CCC1=O
InChIInChI=1S/C13H18O3/c14-12-9-6-8-11(12)7-4-2-1-3-5-10-13(15)16/h4,6-8,11H,1-3,5,9-10H2,(H,15,16)/b7-4-
InChIKeyBXADUKFTJIJRML-DAXSKMNVSA-N
XLogP2.72
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.28
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

(Z)-7-(5-hydroxycyclopent-2-en-1-yl)hept-6-enoic acid
CID 86732970
(9Z,30Z)-nonatriaconta-9,30-dienedioic acid
CID 151731001
(9Z,33Z)-dotetraconta-9,33-dienedioic acid
CID 87211353
nonatriaconta-9,30-dienedioic acid
CID 151730999
tetradec-6-enedioic acid
CID 151545129
(9Z,12Z)-henicosa-9,12-dienedioic acid
CID 88967017
(7E)-7-[(2R)-2-[(E)-oct-1-enyl]-5-oxocyclopent-3-en-1-ylidene]heptanoic acid
CID 10087268
(Z)-dodec-5-enedioic acid
CID 86751837
(E)-7-cyclopentylhept-6-enoic acid
CID 20506982
(E)-octadec-4-enedioic acid
CID 166071490
(E)-pentadec-4-enedioic acid
CID 156873655
11-(oxan-4-yl)undec-10-enoic acid
CID 164916370

Frequently Asked Questions

What is the IUPAC name of (Z)-8-(5-oxocyclopent-2-en-1-yl)oct-7-enoic acid?
The IUPAC name of (Z)-8-(5-oxocyclopent-2-en-1-yl)oct-7-enoic acid (CID 163471658) is (Z)-8-(5-oxocyclopent-2-en-1-yl)oct-7-enoic acid.
What is the SMILES notation for (Z)-8-(5-oxocyclopent-2-en-1-yl)oct-7-enoic acid?
The canonical SMILES for (Z)-8-(5-oxocyclopent-2-en-1-yl)oct-7-enoic acid is O=C(O)CCCCC/C=C\C1C=CCC1=O.
What is the InChIKey of (Z)-8-(5-oxocyclopent-2-en-1-yl)oct-7-enoic acid?
The InChIKey is BXADUKFTJIJRML-DAXSKMNVSA-N. The full InChI is InChI=1S/C13H18O3/c14-12-9-6-8-11(12)7-4-2-1-3-5-10-13(15)16/h4,6-8,11H,1-3,5,9-10H2,(H,15,16)/b7-4-.
What are the key properties of (Z)-8-(5-oxocyclopent-2-en-1-yl)oct-7-enoic acid?
(Z)-8-(5-oxocyclopent-2-en-1-yl)oct-7-enoic acid has a molecular weight of 222.28 g/mol, XLogP of 2.72, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-8-(5-oxocyclopent-2-en-1-yl)oct-7-enoic acid is sourced from PubChem (CID 163471658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).