8-[(1R,5E)-1-hydroxy-4-oxo-5-[(E)-pent-2-enylidene]cyclopent-2-en-1-yl]octanoic acid

C18H26O4 — CID 162917552

IUPAC8-[(1R,5E)-1-hydroxy-4-oxo-5-[(E)-pent-2-enylidene]cyclopent-2-en-1-yl]octanoic acid
SMILESCC/C=C/C=C1/C(=O)C=C[C@]1(O)CCCCCCCC(=O)O
InChIInChI=1S/C18H26O4/c1-2-3-7-10-15-16(19)12-14-18(15,22)13-9-6-4-5-8-11-17(20)21/h3,7,10,12,14,22H,2,4-6,8-9,11,13H2,1H3,(H,20,21)/b7-3+,15-10-/t18-/m1/s1
InChIKeyJCIAXQFIDQSPBE-RQRSKFNTSA-N
MW306.40 g/mol
LogP3.56
Rot. Bonds10

About 8-[(1R,5E)-1-hydroxy-4-oxo-5-[(E)-pent-2-enylidene]cyclopent-2-en-1-yl]octanoic acid

8-[(1R,5E)-1-hydroxy-4-oxo-5-[(E)-pent-2-enylidene]cyclopent-2-en-1-yl]octanoic acid (PubChem CID 162917552) has the molecular formula C18H26O4 and a molecular weight of 306.40 g/mol. Its IUPAC name is 8-[(1R,5E)-1-hydroxy-4-oxo-5-[(E)-pent-2-enylidene]cyclopent-2-en-1-yl]octanoic acid.

Molecular Properties

Compound Name8-[(1R,5E)-1-hydroxy-4-oxo-5-[(E)-pent-2-enylidene]cyclopent-2-en-1-yl]octanoic acid
PubChem CID162917552
Molecular FormulaC18H26O4
Molecular Weight306.40 g/mol
Exact Mass306.18
IUPAC Name8-[(1R,5E)-1-hydroxy-4-oxo-5-[(E)-pent-2-enylidene]cyclopent-2-en-1-yl]octanoic acid
SMILESCC/C=C/C=C1/C(=O)C=C[C@]1(O)CCCCCCCC(=O)O
InChIInChI=1S/C18H26O4/c1-2-3-7-10-15-16(19)12-14-18(15,22)13-9-6-4-5-8-11-17(20)21/h3,7,10,12,14,22H,2,4-6,8-9,11,13H2,1H3,(H,20,21)/b7-3+,15-10-/t18-/m1/s1
InChIKeyJCIAXQFIDQSPBE-RQRSKFNTSA-N
XLogP3.56
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.40
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 8-[(1R,5E)-1-hydroxy-4-oxo-5-[(E)-pent-2-enylidene]cyclopent-2-en-1-yl]octanoic acid with MolForge

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Related Compounds

dodeca-7,9-dienoic acid
CID 78383934
(7E,9E,11Z,13E,15E,17Z)-icosa-7,9,11,13,15,17-hexaenoic acid
CID 138240302
(9E,11Z,13Z,15Z)-octadeca-9,11,13,15-tetraenoic acid
CID 35025837
9-hydroxyoctadeca-9,12,15-trienoic acid
CID 163187375
9-oxooctadeca-10,12,15-trienoic acid
CID 3017510
(10E,12Z,15Z)-9-oxooctadeca-10,12,15-trienoic acid
CID 11380794
henicosa-15,18-dienoic acid
CID 169277369
(12Z,15Z)-octadeca-12,15-dienoic acid
CID 5312453
(10Z,13Z,16Z,19Z,22Z,25Z)-octacosa-10,13,16,19,22,25-hexaenoic acid
CID 52921814
(19Z,22Z,25Z,28Z,31Z)-tetratriaconta-19,22,25,28,31-pentaenoic acid
CID 14753668
icosa-8,14,17-trienoic acid
CID 54189424
octacosa-10,13,16,19,22,25-hexaenoic acid
CID 75955160

Frequently Asked Questions

What is the IUPAC name of 8-[(1R,5E)-1-hydroxy-4-oxo-5-[(E)-pent-2-enylidene]cyclopent-2-en-1-yl]octanoic acid?
The IUPAC name of 8-[(1R,5E)-1-hydroxy-4-oxo-5-[(E)-pent-2-enylidene]cyclopent-2-en-1-yl]octanoic acid (CID 162917552) is 8-[(1R,5E)-1-hydroxy-4-oxo-5-[(E)-pent-2-enylidene]cyclopent-2-en-1-yl]octanoic acid.
What is the SMILES notation for 8-[(1R,5E)-1-hydroxy-4-oxo-5-[(E)-pent-2-enylidene]cyclopent-2-en-1-yl]octanoic acid?
The canonical SMILES for 8-[(1R,5E)-1-hydroxy-4-oxo-5-[(E)-pent-2-enylidene]cyclopent-2-en-1-yl]octanoic acid is CC/C=C/C=C1/C(=O)C=C[C@]1(O)CCCCCCCC(=O)O.
What is the InChIKey of 8-[(1R,5E)-1-hydroxy-4-oxo-5-[(E)-pent-2-enylidene]cyclopent-2-en-1-yl]octanoic acid?
The InChIKey is JCIAXQFIDQSPBE-RQRSKFNTSA-N. The full InChI is InChI=1S/C18H26O4/c1-2-3-7-10-15-16(19)12-14-18(15,22)13-9-6-4-5-8-11-17(20)21/h3,7,10,12,14,22H,2,4-6,8-9,11,13H2,1H3,(H,20,21)/b7-3+,15-10-/t18-/m1/s1.
What are the key properties of 8-[(1R,5E)-1-hydroxy-4-oxo-5-[(E)-pent-2-enylidene]cyclopent-2-en-1-yl]octanoic acid?
8-[(1R,5E)-1-hydroxy-4-oxo-5-[(E)-pent-2-enylidene]cyclopent-2-en-1-yl]octanoic acid has a molecular weight of 306.40 g/mol, XLogP of 3.56, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(1R,5E)-1-hydroxy-4-oxo-5-[(E)-pent-2-enylidene]cyclopent-2-en-1-yl]octanoic acid is sourced from PubChem (CID 162917552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).