(E,7Z)-7-[2-[(E)-3-cyclopentyl-3-hydroxyprop-1-enyl]-5-oxocyclopent-3-en-1-ylidene]hept-5-enoic acid

C20H26O4 — CID 88641090

IUPAC(E,7Z)-7-[2-[(E)-3-cyclopentyl-3-hydroxyprop-1-enyl]-5-oxocyclopent-3-en-1-ylidene]hept-5-enoic acid
SMILESO=C(O)CCC/C=C/C=C1\C(=O)C=CC1/C=C/C(O)C1CCCC1
InChIInChI=1S/C20H26O4/c21-18(16-7-5-6-8-16)13-11-15-12-14-19(22)17(15)9-3-1-2-4-10-20(23)24/h1,3,9,11-16,18,21H,2,4-8,10H2,(H,23,24)/b3-1+,13-11+,17-9-
InChIKeyPODQPPXKFADVLN-HHEXHOATSA-N
MW330.42 g/mol
LogP3.59
Rot. Bonds8

About (E,7Z)-7-[2-[(E)-3-cyclopentyl-3-hydroxyprop-1-enyl]-5-oxocyclopent-3-en-1-ylidene]hept-5-enoic acid

(E,7Z)-7-[2-[(E)-3-cyclopentyl-3-hydroxyprop-1-enyl]-5-oxocyclopent-3-en-1-ylidene]hept-5-enoic acid (PubChem CID 88641090) has the molecular formula C20H26O4 and a molecular weight of 330.42 g/mol. Its IUPAC name is (E,7Z)-7-[2-[(E)-3-cyclopentyl-3-hydroxyprop-1-enyl]-5-oxocyclopent-3-en-1-ylidene]hept-5-enoic acid.

Molecular Properties

Compound Name(E,7Z)-7-[2-[(E)-3-cyclopentyl-3-hydroxyprop-1-enyl]-5-oxocyclopent-3-en-1-ylidene]hept-5-enoic acid
PubChem CID88641090
Molecular FormulaC20H26O4
Molecular Weight330.42 g/mol
Exact Mass330.18
IUPAC Name(E,7Z)-7-[2-[(E)-3-cyclopentyl-3-hydroxyprop-1-enyl]-5-oxocyclopent-3-en-1-ylidene]hept-5-enoic acid
SMILESO=C(O)CCC/C=C/C=C1\C(=O)C=CC1/C=C/C(O)C1CCCC1
InChIInChI=1S/C20H26O4/c21-18(16-7-5-6-8-16)13-11-15-12-14-19(22)17(15)9-3-1-2-4-10-20(23)24/h1,3,9,11-16,18,21H,2,4-8,10H2,(H,23,24)/b3-1+,13-11+,17-9-
InChIKeyPODQPPXKFADVLN-HHEXHOATSA-N
XLogP3.59
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.42
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

methyl (E,7Z)-7-[2-[(E)-3-cyclopentyl-3-hydroxyprop-1-enyl]-5-oxocyclopent-3-en-1-ylidene]hept-5-enoate
CID 88637440
(Z)-7-[(3R,4R)-4-[(E)-3-cyclohexyl-3-hydroxyprop-1-enyl]thiolan-3-yl]hept-5-enoic acid
CID 70433900
methane;bis((Z)-7-[(1S,5E)-5-[(E)-oct-2-enylidene]-4-oxocyclopent-2-en-1-yl]hept-5-enoic acid)
CID 160562187
7-[(1S,2S,3R,4R)-3-(3-cyclohexyl-3-hydroxyprop-1-enyl)-7-thiabicyclo[2.2.1]heptan-2-yl]hept-5-enoic acid
CID 54065316
(7E)-7-[(2R)-2-[(E)-oct-1-enyl]-5-oxocyclopent-3-en-1-ylidene]heptanoic acid
CID 10087268
(E,5S)-5-hydroxy-7-[(1R,2E)-2-[(Z)-oct-2-enylidene]-3-oxocyclopentyl]hept-6-enoic acid
CID 131840069
(5Z)-5-[(1S,2S,3S,6S)-2-[(E)-3-cyclohexyl-3-hydroxyprop-1-enyl]-3-hydroxy-8-methoxy-7-bicyclo[4.2.0]octanylidene]pentanoic acid
CID 70426746
(Z)-7-[(1S,4R,5S,6S)-6-[(E,3S)-3-cyclohexyl-3-hydroxyprop-1-enyl]-4-(4-fluorophenyl)-2-oxabicyclo[2.2.1]heptan-5-yl]hept-5-enoic acid
CID 67857381
(Z)-7-[(1S,5E)-5-[(Z,3S)-3-hydroxyoct-5-enylidene]-4-oxocyclopent-2-en-1-yl]hept-5-enoic acid
CID 71497989
(Z)-7-[(1R,2E,5S)-5-hydroxy-2-[(E)-oct-2-enylidene]-3-oxocyclopentyl]hept-5-enoic acid
CID 5283052
(4S,5E)-5-[(2E,5Z)-10-hydroxydeca-2,5-dienylidene]-4-prop-2-enylcyclopent-2-en-1-one;(4S,5E)-4-[(Z)-7-hydroxyhept-2-enyl]-5-[(2E,5Z)-octa-2,5-dienylidene]cyclopent-2-en-1-one;(Z)-7-[(1S,5E)-5-[(2E,5Z)-octa-2,5-dienylidene]-4-oxocyclopent-2-en-1-yl]hept-5-enoic acid;(4S,5E)-5-[(2E,5Z)-octa-2,5-dienylidene]-4-prop-2-enylcyclopent-2-en-1-one
CID 157196073
5-[(1R,2R,3R)-2-[(E,3S)-3-cyclohexyl-3-hydroxyprop-1-enyl]-3-hydroxy-5-oxocyclopentanecarbonyl]oxyhept-6-enoic acid
CID 139636328

Frequently Asked Questions

What is the IUPAC name of (E,7Z)-7-[2-[(E)-3-cyclopentyl-3-hydroxyprop-1-enyl]-5-oxocyclopent-3-en-1-ylidene]hept-5-enoic acid?
The IUPAC name of (E,7Z)-7-[2-[(E)-3-cyclopentyl-3-hydroxyprop-1-enyl]-5-oxocyclopent-3-en-1-ylidene]hept-5-enoic acid (CID 88641090) is (E,7Z)-7-[2-[(E)-3-cyclopentyl-3-hydroxyprop-1-enyl]-5-oxocyclopent-3-en-1-ylidene]hept-5-enoic acid.
What is the SMILES notation for (E,7Z)-7-[2-[(E)-3-cyclopentyl-3-hydroxyprop-1-enyl]-5-oxocyclopent-3-en-1-ylidene]hept-5-enoic acid?
The canonical SMILES for (E,7Z)-7-[2-[(E)-3-cyclopentyl-3-hydroxyprop-1-enyl]-5-oxocyclopent-3-en-1-ylidene]hept-5-enoic acid is O=C(O)CCC/C=C/C=C1\C(=O)C=CC1/C=C/C(O)C1CCCC1.
What is the InChIKey of (E,7Z)-7-[2-[(E)-3-cyclopentyl-3-hydroxyprop-1-enyl]-5-oxocyclopent-3-en-1-ylidene]hept-5-enoic acid?
The InChIKey is PODQPPXKFADVLN-HHEXHOATSA-N. The full InChI is InChI=1S/C20H26O4/c21-18(16-7-5-6-8-16)13-11-15-12-14-19(22)17(15)9-3-1-2-4-10-20(23)24/h1,3,9,11-16,18,21H,2,4-8,10H2,(H,23,24)/b3-1+,13-11+,17-9-.
What are the key properties of (E,7Z)-7-[2-[(E)-3-cyclopentyl-3-hydroxyprop-1-enyl]-5-oxocyclopent-3-en-1-ylidene]hept-5-enoic acid?
(E,7Z)-7-[2-[(E)-3-cyclopentyl-3-hydroxyprop-1-enyl]-5-oxocyclopent-3-en-1-ylidene]hept-5-enoic acid has a molecular weight of 330.42 g/mol, XLogP of 3.59, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E,7Z)-7-[2-[(E)-3-cyclopentyl-3-hydroxyprop-1-enyl]-5-oxocyclopent-3-en-1-ylidene]hept-5-enoic acid is sourced from PubChem (CID 88641090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).