6-[2-hydroxy-5-[(E)-3-hydroxypent-1-enyl]cyclopentyl]hexanoic acid

C16H28O4 — CID 21403747

IUPAC6-[2-hydroxy-5-[(E)-3-hydroxypent-1-enyl]cyclopentyl]hexanoic acid
SMILESCCC(O)/C=C/C1CCC(O)C1CCCCCC(=O)O
InChIInChI=1S/C16H28O4/c1-2-13(17)10-8-12-9-11-15(18)14(12)6-4-3-5-7-16(19)20/h8,10,12-15,17-18H,2-7,9,11H2,1H3,(H,19,20)/b10-8+
InChIKeyFDKLVFDSCVYRJN-CSKARUKUSA-N
MW284.40 g/mol
LogP2.74
Rot. Bonds9

About 6-[2-hydroxy-5-[(E)-3-hydroxypent-1-enyl]cyclopentyl]hexanoic acid

6-[2-hydroxy-5-[(E)-3-hydroxypent-1-enyl]cyclopentyl]hexanoic acid (PubChem CID 21403747) has the molecular formula C16H28O4 and a molecular weight of 284.40 g/mol. Its IUPAC name is 6-[2-hydroxy-5-[(E)-3-hydroxypent-1-enyl]cyclopentyl]hexanoic acid.

Molecular Properties

Compound Name6-[2-hydroxy-5-[(E)-3-hydroxypent-1-enyl]cyclopentyl]hexanoic acid
PubChem CID21403747
Molecular FormulaC16H28O4
Molecular Weight284.40 g/mol
Exact Mass284.20
IUPAC Name6-[2-hydroxy-5-[(E)-3-hydroxypent-1-enyl]cyclopentyl]hexanoic acid
SMILESCCC(O)/C=C/C1CCC(O)C1CCCCCC(=O)O
InChIInChI=1S/C16H28O4/c1-2-13(17)10-8-12-9-11-15(18)14(12)6-4-3-5-7-16(19)20/h8,10,12-15,17-18H,2-7,9,11H2,1H3,(H,19,20)/b10-8+
InChIKeyFDKLVFDSCVYRJN-CSKARUKUSA-N
XLogP2.74
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 52.74
H-Bond Donors ≤ 53
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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Related Compounds

8-[(1S,2R,5R)-5-hydroxy-2-[(E,3S)-3-hydroxypent-1-enyl]-3-oxocyclopentyl]octanoic acid
CID 131839842
(Z)-7-[2-hydroxy-5-[(E)-3-hydroxydec-1-enyl]cyclopentyl]hept-4-enoic acid
CID 154004373
(1S,2R,3R)-3-(3-hydroxydec-1-enyl)-2-(6-methyloctyl)cyclopentan-1-ol
CID 70547983
8-[2-hydroxy-5-[(E)-3-hydroxynon-1-enyl]cyclopentyl]oct-6-ynoic acid
CID 21403608
6-[2-(8-cyano-3-hydroxy-3-methyloct-1-enyl)-5-hydroxycyclopentyl]hexanoic acid
CID 172862803
6-[(1R,2S,5R)-2-hydroxy-5-(3-hydroxyoct-4-enyl)cyclopentyl]hexanoic acid
CID 54051567
2-(7-aminohept-6-enyl)-3-[(E)-3-hydroxyoct-1-enyl]cyclopentan-1-ol
CID 70116464
8-[(2S,3S,5R)-5-[(E,1R,4S)-1,4-dihydroxyhex-2-enyl]-3-hydroxyoxolan-2-yl]octanoic acid
CID 134812165
8-[(2R,3R,5S)-5-[(E,1R,4R)-1,4-dihydroxyhex-2-enyl]-3-hydroxyoxolan-2-yl]octanoic acid
CID 134812146
8-[(2R,3S,5R)-5-[(E,1R,4S)-1,4-dihydroxyhex-2-enyl]-3-hydroxyoxolan-2-yl]octanoic acid
CID 134812167
8-[(2R,3S,5S)-5-[(E,1R,4S)-1,4-dihydroxyhex-2-enyl]-3-hydroxyoxolan-2-yl]octanoic acid
CID 134812166
(E,8S)-8-hydroxy-10-[(1S,2R,3R)-3-hydroxy-5-oxo-2-pentylcyclopentyl]dec-9-enoic acid
CID 171116223

Frequently Asked Questions

What is the IUPAC name of 6-[2-hydroxy-5-[(E)-3-hydroxypent-1-enyl]cyclopentyl]hexanoic acid?
The IUPAC name of 6-[2-hydroxy-5-[(E)-3-hydroxypent-1-enyl]cyclopentyl]hexanoic acid (CID 21403747) is 6-[2-hydroxy-5-[(E)-3-hydroxypent-1-enyl]cyclopentyl]hexanoic acid.
What is the SMILES notation for 6-[2-hydroxy-5-[(E)-3-hydroxypent-1-enyl]cyclopentyl]hexanoic acid?
The canonical SMILES for 6-[2-hydroxy-5-[(E)-3-hydroxypent-1-enyl]cyclopentyl]hexanoic acid is CCC(O)/C=C/C1CCC(O)C1CCCCCC(=O)O.
What is the InChIKey of 6-[2-hydroxy-5-[(E)-3-hydroxypent-1-enyl]cyclopentyl]hexanoic acid?
The InChIKey is FDKLVFDSCVYRJN-CSKARUKUSA-N. The full InChI is InChI=1S/C16H28O4/c1-2-13(17)10-8-12-9-11-15(18)14(12)6-4-3-5-7-16(19)20/h8,10,12-15,17-18H,2-7,9,11H2,1H3,(H,19,20)/b10-8+.
What are the key properties of 6-[2-hydroxy-5-[(E)-3-hydroxypent-1-enyl]cyclopentyl]hexanoic acid?
6-[2-hydroxy-5-[(E)-3-hydroxypent-1-enyl]cyclopentyl]hexanoic acid has a molecular weight of 284.40 g/mol, XLogP of 2.74, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-hydroxy-5-[(E)-3-hydroxypent-1-enyl]cyclopentyl]hexanoic acid is sourced from PubChem (CID 21403747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).