(Z)-7-(5-hydroxycyclopent-2-en-1-yl)hept-6-enoic acid

C12H18O3 — CID 86732970

IUPAC(Z)-7-(5-hydroxycyclopent-2-en-1-yl)hept-6-enoic acid
SMILESO=C(O)CCCC/C=C\C1C=CCC1O
InChIInChI=1S/C12H18O3/c13-11-8-5-7-10(11)6-3-1-2-4-9-12(14)15/h3,5-7,10-11,13H,1-2,4,8-9H2,(H,14,15)/b6-3-
InChIKeyOLYBTNNFRJIBTG-UTCJRWHESA-N
MW210.27 g/mol
LogP2.12
Rot. Bonds6

About (Z)-7-(5-hydroxycyclopent-2-en-1-yl)hept-6-enoic acid

(Z)-7-(5-hydroxycyclopent-2-en-1-yl)hept-6-enoic acid (PubChem CID 86732970) has the molecular formula C12H18O3 and a molecular weight of 210.27 g/mol. Its IUPAC name is (Z)-7-(5-hydroxycyclopent-2-en-1-yl)hept-6-enoic acid.

Molecular Properties

Compound Name(Z)-7-(5-hydroxycyclopent-2-en-1-yl)hept-6-enoic acid
PubChem CID86732970
Molecular FormulaC12H18O3
Molecular Weight210.27 g/mol
Exact Mass210.13
IUPAC Name(Z)-7-(5-hydroxycyclopent-2-en-1-yl)hept-6-enoic acid
SMILESO=C(O)CCCC/C=C\C1C=CCC1O
InChIInChI=1S/C12H18O3/c13-11-8-5-7-10(11)6-3-1-2-4-9-12(14)15/h3,5-7,10-11,13H,1-2,4,8-9H2,(H,14,15)/b6-3-
InChIKeyOLYBTNNFRJIBTG-UTCJRWHESA-N
XLogP2.12
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 52.12
H-Bond Donors ≤ 52
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

(E)-7-(5-hydroxycyclopent-2-en-1-yl)hept-5-enoic acid
CID 13427657
6-(7-hept-1-enylcyclohepta-2,5-dien-1-yl)hexanoic acid
CID 54359075
(Z)-8-(5-oxocyclopent-2-en-1-yl)oct-7-enoic acid
CID 163471658
(E)-7-cyclopentylhept-6-enoic acid
CID 20506982
(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
tetradeca-5,8-dienedioic acid
CID 54091580
7-[(1R,2S,5S)-2-hydroxy-5-(8-hydroxyoct-1-enyl)cyclopent-3-en-1-yl]hept-5-enoic acid
CID 67703843
(Z)-dodec-5-enedioic acid
CID 86751837

Frequently Asked Questions

What is the IUPAC name of (Z)-7-(5-hydroxycyclopent-2-en-1-yl)hept-6-enoic acid?
The IUPAC name of (Z)-7-(5-hydroxycyclopent-2-en-1-yl)hept-6-enoic acid (CID 86732970) is (Z)-7-(5-hydroxycyclopent-2-en-1-yl)hept-6-enoic acid.
What is the SMILES notation for (Z)-7-(5-hydroxycyclopent-2-en-1-yl)hept-6-enoic acid?
The canonical SMILES for (Z)-7-(5-hydroxycyclopent-2-en-1-yl)hept-6-enoic acid is O=C(O)CCCC/C=C\C1C=CCC1O.
What is the InChIKey of (Z)-7-(5-hydroxycyclopent-2-en-1-yl)hept-6-enoic acid?
The InChIKey is OLYBTNNFRJIBTG-UTCJRWHESA-N. The full InChI is InChI=1S/C12H18O3/c13-11-8-5-7-10(11)6-3-1-2-4-9-12(14)15/h3,5-7,10-11,13H,1-2,4,8-9H2,(H,14,15)/b6-3-.
What are the key properties of (Z)-7-(5-hydroxycyclopent-2-en-1-yl)hept-6-enoic acid?
(Z)-7-(5-hydroxycyclopent-2-en-1-yl)hept-6-enoic acid has a molecular weight of 210.27 g/mol, XLogP of 2.12, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-7-(5-hydroxycyclopent-2-en-1-yl)hept-6-enoic acid is sourced from PubChem (CID 86732970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).