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

C18H28O4 — CID 163085852

IUPAC8-[(1R,5S)-5-hydroxy-4-oxo-5-[(Z)-pent-2-enyl]cyclopent-2-en-1-yl]octanoic acid
SMILESCC/C=C\C[C@@]1(O)C(=O)C=C[C@H]1CCCCCCCC(=O)O
InChIInChI=1S/C18H28O4/c1-2-3-9-14-18(22)15(12-13-16(18)19)10-7-5-4-6-8-11-17(20)21/h3,9,12-13,15,22H,2,4-8,10-11,14H2,1H3,(H,20,21)/b9-3-/t15-,18+/m1/s1
InChIKeyJTVFMTUJWPGXRA-MJFLDEBMSA-N
MW308.42 g/mol
LogP3.64
Rot. Bonds11

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

8-[(1R,5S)-5-hydroxy-4-oxo-5-[(Z)-pent-2-enyl]cyclopent-2-en-1-yl]octanoic acid (PubChem CID 163085852) has the molecular formula C18H28O4 and a molecular weight of 308.42 g/mol. Its IUPAC name is 8-[(1R,5S)-5-hydroxy-4-oxo-5-[(Z)-pent-2-enyl]cyclopent-2-en-1-yl]octanoic acid.

Molecular Properties

Compound Name8-[(1R,5S)-5-hydroxy-4-oxo-5-[(Z)-pent-2-enyl]cyclopent-2-en-1-yl]octanoic acid
PubChem CID163085852
Molecular FormulaC18H28O4
Molecular Weight308.42 g/mol
Exact Mass308.20
IUPAC Name8-[(1R,5S)-5-hydroxy-4-oxo-5-[(Z)-pent-2-enyl]cyclopent-2-en-1-yl]octanoic acid
SMILESCC/C=C\C[C@@]1(O)C(=O)C=C[C@H]1CCCCCCCC(=O)O
InChIInChI=1S/C18H28O4/c1-2-3-9-14-18(22)15(12-13-16(18)19)10-7-5-4-6-8-11-17(20)21/h3,9,12-13,15,22H,2,4-8,10-11,14H2,1H3,(H,20,21)/b9-3-/t15-,18+/m1/s1
InChIKeyJTVFMTUJWPGXRA-MJFLDEBMSA-N
XLogP3.64
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 53.64
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'}

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Frequently Asked Questions

What is the IUPAC name of 8-[(1R,5S)-5-hydroxy-4-oxo-5-[(Z)-pent-2-enyl]cyclopent-2-en-1-yl]octanoic acid?
The IUPAC name of 8-[(1R,5S)-5-hydroxy-4-oxo-5-[(Z)-pent-2-enyl]cyclopent-2-en-1-yl]octanoic acid (CID 163085852) is 8-[(1R,5S)-5-hydroxy-4-oxo-5-[(Z)-pent-2-enyl]cyclopent-2-en-1-yl]octanoic acid.
What is the SMILES notation for 8-[(1R,5S)-5-hydroxy-4-oxo-5-[(Z)-pent-2-enyl]cyclopent-2-en-1-yl]octanoic acid?
The canonical SMILES for 8-[(1R,5S)-5-hydroxy-4-oxo-5-[(Z)-pent-2-enyl]cyclopent-2-en-1-yl]octanoic acid is CC/C=C\C[C@@]1(O)C(=O)C=C[C@H]1CCCCCCCC(=O)O.
What is the InChIKey of 8-[(1R,5S)-5-hydroxy-4-oxo-5-[(Z)-pent-2-enyl]cyclopent-2-en-1-yl]octanoic acid?
The InChIKey is JTVFMTUJWPGXRA-MJFLDEBMSA-N. The full InChI is InChI=1S/C18H28O4/c1-2-3-9-14-18(22)15(12-13-16(18)19)10-7-5-4-6-8-11-17(20)21/h3,9,12-13,15,22H,2,4-8,10-11,14H2,1H3,(H,20,21)/b9-3-/t15-,18+/m1/s1.
What are the key properties of 8-[(1R,5S)-5-hydroxy-4-oxo-5-[(Z)-pent-2-enyl]cyclopent-2-en-1-yl]octanoic acid?
8-[(1R,5S)-5-hydroxy-4-oxo-5-[(Z)-pent-2-enyl]cyclopent-2-en-1-yl]octanoic acid has a molecular weight of 308.42 g/mol, XLogP of 3.64, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(1R,5S)-5-hydroxy-4-oxo-5-[(Z)-pent-2-enyl]cyclopent-2-en-1-yl]octanoic acid is sourced from PubChem (CID 163085852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).