(E)-7-[3,5-dihydroxy-2-[(E)-4-hydroxynon-2-en-2-yl]cyclopentyl]hept-5-enoic acid

C21H36O5 — CID 20655967

IUPAC(E)-7-[3,5-dihydroxy-2-[(E)-4-hydroxynon-2-en-2-yl]cyclopentyl]hept-5-enoic acid
SMILESCCCCCC(O)/C=C(\C)C1C(O)CC(O)C1C/C=C/CCCC(=O)O
InChIInChI=1S/C21H36O5/c1-3-4-7-10-16(22)13-15(2)21-17(18(23)14-19(21)24)11-8-5-6-9-12-20(25)26/h5,8,13,16-19,21-24H,3-4,6-7,9-12,14H2,1-2H3,(H,25,26)/b8-5+,15-13+
InChIKeyWCNBTKGVPGFCJS-OYAMYSJUSA-N
MW368.51 g/mol
LogP3.43
Rot. Bonds12

About (E)-7-[3,5-dihydroxy-2-[(E)-4-hydroxynon-2-en-2-yl]cyclopentyl]hept-5-enoic acid

(E)-7-[3,5-dihydroxy-2-[(E)-4-hydroxynon-2-en-2-yl]cyclopentyl]hept-5-enoic acid (PubChem CID 20655967) has the molecular formula C21H36O5 and a molecular weight of 368.51 g/mol. Its IUPAC name is (E)-7-[3,5-dihydroxy-2-[(E)-4-hydroxynon-2-en-2-yl]cyclopentyl]hept-5-enoic acid.

Molecular Properties

Compound Name(E)-7-[3,5-dihydroxy-2-[(E)-4-hydroxynon-2-en-2-yl]cyclopentyl]hept-5-enoic acid
PubChem CID20655967
Molecular FormulaC21H36O5
Molecular Weight368.51 g/mol
Exact Mass368.26
IUPAC Name(E)-7-[3,5-dihydroxy-2-[(E)-4-hydroxynon-2-en-2-yl]cyclopentyl]hept-5-enoic acid
SMILESCCCCCC(O)/C=C(\C)C1C(O)CC(O)C1C/C=C/CCCC(=O)O
InChIInChI=1S/C21H36O5/c1-3-4-7-10-16(22)13-15(2)21-17(18(23)14-19(21)24)11-8-5-6-9-12-20(25)26/h5,8,13,16-19,21-24H,3-4,6-7,9-12,14H2,1-2H3,(H,25,26)/b8-5+,15-13+
InChIKeyWCNBTKGVPGFCJS-OYAMYSJUSA-N
XLogP3.43
TPSA97.99 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.51
LogP ≤ 53.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

(Z)-7-[3,5-dihydroxy-2-(1-hydroxyoctyl)cyclopentyl]hept-5-enoic acid
CID 70636407
(E)-7-[(1S,2R,3R,5R)-3,5-dihydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]hept-5-enoic acid
CID 171042160
(Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(3S)-3-hydroxyoct-1-enyl]cyclopentyl]hept-5-enoic acid
CID 67853576
7-[(1R,2R,3R,5R)-3,5-dihydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]hept-5-enoic acid
CID 134688226
(E)-7-[(1R,2R,3R,5R)-3,5-dihydroxy-2-[(E)-3-hydroxyoct-1-enyl]cyclopentyl]hept-5-enoic acid
CID 22795415
(E)-7-[(1R,2R,3S,5S)-3,5-dihydroxy-2-[(E)-3-hydroxyoct-1-enyl]cyclopentyl]hept-5-enoic acid
CID 133126547
(Z)-7-[(1R,2S,3R,5S)-3,5-dihydroxy-2-[(E,3R)-3-hydroxyoct-1-enyl]cyclopentyl]hept-5-enoic acid
CID 10522105
(Z)-7-[(1S,2S,3R,5R)-3,5-dihydroxy-2-[(E,3R)-3-hydroxyoct-1-enyl]cyclopentyl]hept-5-enoic acid
CID 139593376
7-[(1R,2R)-3,5-dihydroxy-2-(3-hydroxyoct-1-enyl)cyclopentyl]hept-5-enoic acid
CID 54213053
(Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(3S)-3-hydroxydecyl]cyclopentyl]hept-5-enoic acid
CID 70827516
(Z)-9-[(1S,2S,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]non-7-enoic acid
CID 134812236
(Z)-9-[(1R,2R,3S,5R)-3,5-dihydroxy-2-[(E,3R)-3-hydroxyoct-1-enyl]cyclopentyl]non-7-enoic acid
CID 35022708

Frequently Asked Questions

What is the IUPAC name of (E)-7-[3,5-dihydroxy-2-[(E)-4-hydroxynon-2-en-2-yl]cyclopentyl]hept-5-enoic acid?
The IUPAC name of (E)-7-[3,5-dihydroxy-2-[(E)-4-hydroxynon-2-en-2-yl]cyclopentyl]hept-5-enoic acid (CID 20655967) is (E)-7-[3,5-dihydroxy-2-[(E)-4-hydroxynon-2-en-2-yl]cyclopentyl]hept-5-enoic acid.
What is the SMILES notation for (E)-7-[3,5-dihydroxy-2-[(E)-4-hydroxynon-2-en-2-yl]cyclopentyl]hept-5-enoic acid?
The canonical SMILES for (E)-7-[3,5-dihydroxy-2-[(E)-4-hydroxynon-2-en-2-yl]cyclopentyl]hept-5-enoic acid is CCCCCC(O)/C=C(\C)C1C(O)CC(O)C1C/C=C/CCCC(=O)O.
What is the InChIKey of (E)-7-[3,5-dihydroxy-2-[(E)-4-hydroxynon-2-en-2-yl]cyclopentyl]hept-5-enoic acid?
The InChIKey is WCNBTKGVPGFCJS-OYAMYSJUSA-N. The full InChI is InChI=1S/C21H36O5/c1-3-4-7-10-16(22)13-15(2)21-17(18(23)14-19(21)24)11-8-5-6-9-12-20(25)26/h5,8,13,16-19,21-24H,3-4,6-7,9-12,14H2,1-2H3,(H,25,26)/b8-5+,15-13+.
What are the key properties of (E)-7-[3,5-dihydroxy-2-[(E)-4-hydroxynon-2-en-2-yl]cyclopentyl]hept-5-enoic acid?
(E)-7-[3,5-dihydroxy-2-[(E)-4-hydroxynon-2-en-2-yl]cyclopentyl]hept-5-enoic acid has a molecular weight of 368.51 g/mol, XLogP of 3.43, 12 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-7-[3,5-dihydroxy-2-[(E)-4-hydroxynon-2-en-2-yl]cyclopentyl]hept-5-enoic acid is sourced from PubChem (CID 20655967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).