6-[2-hydroxy-5-(3-oxohex-1-enyl)cyclopentyl]hex-4-enoic acid

C17H26O4 — CID 57284692

IUPAC6-[2-hydroxy-5-(3-oxohex-1-enyl)cyclopentyl]hex-4-enoic acid
SMILESCCCC(=O)C=CC1CCC(O)C1CC=CCCC(=O)O
InChIInChI=1S/C17H26O4/c1-2-6-14(18)11-9-13-10-12-16(19)15(13)7-4-3-5-8-17(20)21/h3-4,9,11,13,15-16,19H,2,5-8,10,12H2,1H3,(H,20,21)
InChIKeyBCHQBBZFWPBFNP-UHFFFAOYSA-N
MW294.39 g/mol
LogP3.11
Rot. Bonds9

About 6-[2-hydroxy-5-(3-oxohex-1-enyl)cyclopentyl]hex-4-enoic acid

6-[2-hydroxy-5-(3-oxohex-1-enyl)cyclopentyl]hex-4-enoic acid (PubChem CID 57284692) has the molecular formula C17H26O4 and a molecular weight of 294.39 g/mol. Its IUPAC name is 6-[2-hydroxy-5-(3-oxohex-1-enyl)cyclopentyl]hex-4-enoic acid.

Molecular Properties

Compound Name6-[2-hydroxy-5-(3-oxohex-1-enyl)cyclopentyl]hex-4-enoic acid
PubChem CID57284692
Molecular FormulaC17H26O4
Molecular Weight294.39 g/mol
Exact Mass294.18
IUPAC Name6-[2-hydroxy-5-(3-oxohex-1-enyl)cyclopentyl]hex-4-enoic acid
SMILESCCCC(=O)C=CC1CCC(O)C1CC=CCCC(=O)O
InChIInChI=1S/C17H26O4/c1-2-6-14(18)11-9-13-10-12-16(19)15(13)7-4-3-5-8-17(20)21/h3-4,9,11,13,15-16,19H,2,5-8,10,12H2,1H3,(H,20,21)
InChIKeyBCHQBBZFWPBFNP-UHFFFAOYSA-N
XLogP3.11
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-[2-hydroxy-5-(3-oxooct-1-enyl)cyclopentyl]hex-4-enoic acid
CID 57257251
7-[2-hydroxy-5-[(E)-3-oxohex-1-enyl]cyclopentyl]hept-5-ynoic acid
CID 21403683
7-[(1R,2R)-2-[6-(4-bromo-5-methylthiophen-2-yl)-3-oxohex-1-enyl]-5-hydroxycyclopentyl]hept-5-enoic acid
CID 123235478
7-[(1R,2S,5R)-2-hydroxy-5-(3-hydroxy-4-methylhept-1-enyl)cyclopentyl]hept-5-enoic acid
CID 57008385
(Z)-7-[(1R,2R)-2-[(E)-4-(4-bromo-5-methylthiophen-2-yl)-3-oxobut-1-enyl]-5-hydroxycyclopentyl]hept-5-enoic acid
CID 58806910
(E)-7-[2-[(Z)-4-ethyl-3-hydroxyoct-1-enyl]-5-hydroxycyclopentyl]hept-5-enoic acid
CID 149434844
6-[2-hydroxy-5-[(E)-3-oxopent-1-enyl]cyclopentyl]hex-4-ynoic acid
CID 21403664
(Z)-7-[2-hydroxy-5-[(E)-3-hydroxydec-1-enyl]cyclopentyl]hept-4-enoic acid
CID 154004373
(Z)-7-[(1R,2R,5S)-2-[(E)-4-cyclopentyl-3-hydroxy-3-methylbut-1-enyl]-5-hydroxycyclopentyl]hept-5-enoic acid
CID 70613609
(E)-1-(4-bromo-5-methylthiophen-2-yl)sulfanyl-4-[(1R,2R)-3-hydroxy-2-prop-2-enylcyclopentyl]but-3-en-2-one;butanoic acid;ethane
CID 143187122
methyl (E)-7-[2-hydroxy-5-[(E)-3-hydroxyoct-1-enyl]cyclopentyl]hept-5-enoate
CID 14214746
7-[(1R,2S,5R)-2-(5-ethoxy-3-hydroxy-4,4-dimethylpent-1-enyl)-5-hydroxycyclopentyl]hept-4-enoic acid
CID 54126632

Frequently Asked Questions

What is the IUPAC name of 6-[2-hydroxy-5-(3-oxohex-1-enyl)cyclopentyl]hex-4-enoic acid?
The IUPAC name of 6-[2-hydroxy-5-(3-oxohex-1-enyl)cyclopentyl]hex-4-enoic acid (CID 57284692) is 6-[2-hydroxy-5-(3-oxohex-1-enyl)cyclopentyl]hex-4-enoic acid.
What is the SMILES notation for 6-[2-hydroxy-5-(3-oxohex-1-enyl)cyclopentyl]hex-4-enoic acid?
The canonical SMILES for 6-[2-hydroxy-5-(3-oxohex-1-enyl)cyclopentyl]hex-4-enoic acid is CCCC(=O)C=CC1CCC(O)C1CC=CCCC(=O)O.
What is the InChIKey of 6-[2-hydroxy-5-(3-oxohex-1-enyl)cyclopentyl]hex-4-enoic acid?
The InChIKey is BCHQBBZFWPBFNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O4/c1-2-6-14(18)11-9-13-10-12-16(19)15(13)7-4-3-5-8-17(20)21/h3-4,9,11,13,15-16,19H,2,5-8,10,12H2,1H3,(H,20,21).
What are the key properties of 6-[2-hydroxy-5-(3-oxohex-1-enyl)cyclopentyl]hex-4-enoic acid?
6-[2-hydroxy-5-(3-oxohex-1-enyl)cyclopentyl]hex-4-enoic acid has a molecular weight of 294.39 g/mol, XLogP of 3.11, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-hydroxy-5-(3-oxohex-1-enyl)cyclopentyl]hex-4-enoic acid is sourced from PubChem (CID 57284692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).