(Z,4R)-7-(3-hydroxy-5-oxocyclopenten-1-yl)-4-methylhept-6-enoic acid

C13H18O4 — CID 163613460

IUPAC(Z,4R)-7-(3-hydroxy-5-oxocyclopenten-1-yl)-4-methylhept-6-enoic acid
SMILESC[C@@H](C/C=C\C1=CC(O)CC1=O)CCC(=O)O
InChIInChI=1S/C13H18O4/c1-9(5-6-13(16)17)3-2-4-10-7-11(14)8-12(10)15/h2,4,7,9,11,14H,3,5-6,8H2,1H3,(H,16,17)/b4-2-/t9-,11?/m0/s1
InChIKeyHHXXXLOCIBKFBV-KYGIZMAESA-N
MW238.28 g/mol
LogP1.69
Rot. Bonds6

About (Z,4R)-7-(3-hydroxy-5-oxocyclopenten-1-yl)-4-methylhept-6-enoic acid

(Z,4R)-7-(3-hydroxy-5-oxocyclopenten-1-yl)-4-methylhept-6-enoic acid (PubChem CID 163613460) has the molecular formula C13H18O4 and a molecular weight of 238.28 g/mol. Its IUPAC name is (Z,4R)-7-(3-hydroxy-5-oxocyclopenten-1-yl)-4-methylhept-6-enoic acid.

Molecular Properties

Compound Name(Z,4R)-7-(3-hydroxy-5-oxocyclopenten-1-yl)-4-methylhept-6-enoic acid
PubChem CID163613460
Molecular FormulaC13H18O4
Molecular Weight238.28 g/mol
Exact Mass238.12
IUPAC Name(Z,4R)-7-(3-hydroxy-5-oxocyclopenten-1-yl)-4-methylhept-6-enoic acid
SMILESC[C@@H](C/C=C\C1=CC(O)CC1=O)CCC(=O)O
InChIInChI=1S/C13H18O4/c1-9(5-6-13(16)17)3-2-4-10-7-11(14)8-12(10)15/h2,4,7,9,11,14H,3,5-6,8H2,1H3,(H,16,17)/b4-2-/t9-,11?/m0/s1
InChIKeyHHXXXLOCIBKFBV-KYGIZMAESA-N
XLogP1.69
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.28
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (Z,4R)-7-(3-hydroxy-5-oxocyclopenten-1-yl)-4-methylhept-6-enoic acid with MolForge

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Related Compounds

2-but-1-enyl-4-hydroxycyclopent-2-en-1-one
CID 57121897
2-hex-1-enyl-4-hydroxycyclopent-2-en-1-one
CID 57270538
4-methyl-5-(5-oxooxolan-2-yl)pentanoic acid
CID 58663282
(4S)-2-ethyl-4-hydroxycyclopent-2-en-1-one
CID 58922282
5-[(3,4-dihydroxypyrrolidine-1-carbonyl)amino]-4-methylpentanoic acid
CID 106670569
(4S)-4-methyl-5-phenylpentanoic acid
CID 6995676
5-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-4-methylpentanoic acid
CID 82683818
3-hydroxy-5-oxocyclopentene-1-carboxylic acid
CID 19777476
5-(4-cyclopentylphenyl)-4-methylpentanoic acid
CID 70538154
5-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-4-methylpentanoic acid
CID 82683361
3-methylhexanedioic acid;dihydrobromide
CID 172737269
formic acid;3-methylhexanedioic acid
CID 91009352

Frequently Asked Questions

What is the IUPAC name of (Z,4R)-7-(3-hydroxy-5-oxocyclopenten-1-yl)-4-methylhept-6-enoic acid?
The IUPAC name of (Z,4R)-7-(3-hydroxy-5-oxocyclopenten-1-yl)-4-methylhept-6-enoic acid (CID 163613460) is (Z,4R)-7-(3-hydroxy-5-oxocyclopenten-1-yl)-4-methylhept-6-enoic acid.
What is the SMILES notation for (Z,4R)-7-(3-hydroxy-5-oxocyclopenten-1-yl)-4-methylhept-6-enoic acid?
The canonical SMILES for (Z,4R)-7-(3-hydroxy-5-oxocyclopenten-1-yl)-4-methylhept-6-enoic acid is C[C@@H](C/C=C\C1=CC(O)CC1=O)CCC(=O)O.
What is the InChIKey of (Z,4R)-7-(3-hydroxy-5-oxocyclopenten-1-yl)-4-methylhept-6-enoic acid?
The InChIKey is HHXXXLOCIBKFBV-KYGIZMAESA-N. The full InChI is InChI=1S/C13H18O4/c1-9(5-6-13(16)17)3-2-4-10-7-11(14)8-12(10)15/h2,4,7,9,11,14H,3,5-6,8H2,1H3,(H,16,17)/b4-2-/t9-,11?/m0/s1.
What are the key properties of (Z,4R)-7-(3-hydroxy-5-oxocyclopenten-1-yl)-4-methylhept-6-enoic acid?
(Z,4R)-7-(3-hydroxy-5-oxocyclopenten-1-yl)-4-methylhept-6-enoic acid has a molecular weight of 238.28 g/mol, XLogP of 1.69, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,4R)-7-(3-hydroxy-5-oxocyclopenten-1-yl)-4-methylhept-6-enoic acid is sourced from PubChem (CID 163613460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).