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

C12H18O3 — CID 13427657

IUPAC(E)-7-(5-hydroxycyclopent-2-en-1-yl)hept-5-enoic acid
SMILESO=C(O)CCC/C=C/CC1C=CCC1O
InChIInChI=1S/C12H18O3/c13-11-8-5-7-10(11)6-3-1-2-4-9-12(14)15/h1,3,5,7,10-11,13H,2,4,6,8-9H2,(H,14,15)/b3-1+
InChIKeyOIAIKILNADYWHA-HNQUOIGGSA-N
MW210.27 g/mol
LogP2.12
Rot. Bonds6

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

(E)-7-(5-hydroxycyclopent-2-en-1-yl)hept-5-enoic acid (PubChem CID 13427657) has the molecular formula C12H18O3 and a molecular weight of 210.27 g/mol. Its IUPAC name is (E)-7-(5-hydroxycyclopent-2-en-1-yl)hept-5-enoic acid.

Molecular Properties

Compound Name(E)-7-(5-hydroxycyclopent-2-en-1-yl)hept-5-enoic acid
PubChem CID13427657
Molecular FormulaC12H18O3
Molecular Weight210.27 g/mol
Exact Mass210.13
IUPAC Name(E)-7-(5-hydroxycyclopent-2-en-1-yl)hept-5-enoic acid
SMILESO=C(O)CCC/C=C/CC1C=CCC1O
InChIInChI=1S/C12H18O3/c13-11-8-5-7-10(11)6-3-1-2-4-9-12(14)15/h1,3,5,7,10-11,13H,2,4,6,8-9H2,(H,14,15)/b3-1+
InChIKeyOIAIKILNADYWHA-HNQUOIGGSA-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

(Z)-7-(5-hydroxycyclopent-2-en-1-yl)hept-6-enoic acid
CID 86732970
(Z)-7-[(1R,2S,4S)-2,4-dihydroxycyclopentyl]hept-5-enoic acid
CID 118934373
(E)-7-[(1S,2R,5S)-2-hydroxy-5-[(E)-oct-2-enyl]cyclopent-3-en-1-yl]hept-5-enoic acid
CID 102278603
(Z)-7-[(1R)-4-oxocyclopent-2-en-1-yl]hept-5-enoic acid
CID 138978370
tetradeca-5,8-dienedioic acid
CID 54091580
(Z)-dodec-5-enedioic acid
CID 86751837
7-[(1S,2S,3S,4S)-3-hydroxy-7-oxabicyclo[2.2.1]heptan-2-yl]hept-5-enoic acid
CID 54510752
(5Z,8Z)-10-[(2R,3S)-3-[(2Z,5Z)-octa-2,5-dienyl]oxiran-2-yl]deca-5,8-dienoic acid
CID 93024524
(5E,8E,11E)-13-[(2S,3R)-3-[(E)-pent-2-enyl]oxiran-2-yl]trideca-5,8,11-trienoic acid
CID 125383897
7-[(1S,2S,3R,4R)-3-hydroxy-7-oxabicyclo[2.2.1]heptan-2-yl]hept-5-enoic acid
CID 54510753
(Z)-7-[(1S,2R)-2-(4-ethoxy-3-hydroxy-4-methylpent-1-enyl)cyclopent-3-en-1-yl]hept-5-enoic acid
CID 70562700
7-[(1R,2R)-2-oct-2-enyl-5-oxocyclopent-3-en-1-yl]hept-5-enoic acid
CID 71446729

Frequently Asked Questions

What is the IUPAC name of (E)-7-(5-hydroxycyclopent-2-en-1-yl)hept-5-enoic acid?
The IUPAC name of (E)-7-(5-hydroxycyclopent-2-en-1-yl)hept-5-enoic acid (CID 13427657) is (E)-7-(5-hydroxycyclopent-2-en-1-yl)hept-5-enoic acid.
What is the SMILES notation for (E)-7-(5-hydroxycyclopent-2-en-1-yl)hept-5-enoic acid?
The canonical SMILES for (E)-7-(5-hydroxycyclopent-2-en-1-yl)hept-5-enoic acid is O=C(O)CCC/C=C/CC1C=CCC1O.
What is the InChIKey of (E)-7-(5-hydroxycyclopent-2-en-1-yl)hept-5-enoic acid?
The InChIKey is OIAIKILNADYWHA-HNQUOIGGSA-N. The full InChI is InChI=1S/C12H18O3/c13-11-8-5-7-10(11)6-3-1-2-4-9-12(14)15/h1,3,5,7,10-11,13H,2,4,6,8-9H2,(H,14,15)/b3-1+.
What are the key properties of (E)-7-(5-hydroxycyclopent-2-en-1-yl)hept-5-enoic acid?
(E)-7-(5-hydroxycyclopent-2-en-1-yl)hept-5-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 (E)-7-(5-hydroxycyclopent-2-en-1-yl)hept-5-enoic acid is sourced from PubChem (CID 13427657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).