(Z)-7-[(1R,2S,4S)-2,4-dihydroxycyclopentyl]hept-5-enoic acid

C12H20O4 — CID 118934373

IUPAC(Z)-7-[(1R,2S,4S)-2,4-dihydroxycyclopentyl]hept-5-enoic acid
SMILESO=C(O)CCC/C=C\C[C@@H]1C[C@H](O)C[C@@H]1O
InChIInChI=1S/C12H20O4/c13-10-7-9(11(14)8-10)5-3-1-2-4-6-12(15)16/h1,3,9-11,13-14H,2,4-8H2,(H,15,16)/b3-1-/t9-,10+,11+/m1/s1
InChIKeyDBJRTSSBFWGZMB-QSTZJVRWSA-N
MW228.29 g/mol
LogP1.32
Rot. Bonds6

About (Z)-7-[(1R,2S,4S)-2,4-dihydroxycyclopentyl]hept-5-enoic acid

(Z)-7-[(1R,2S,4S)-2,4-dihydroxycyclopentyl]hept-5-enoic acid (PubChem CID 118934373) has the molecular formula C12H20O4 and a molecular weight of 228.29 g/mol. Its IUPAC name is (Z)-7-[(1R,2S,4S)-2,4-dihydroxycyclopentyl]hept-5-enoic acid.

Molecular Properties

Compound Name(Z)-7-[(1R,2S,4S)-2,4-dihydroxycyclopentyl]hept-5-enoic acid
PubChem CID118934373
Molecular FormulaC12H20O4
Molecular Weight228.29 g/mol
Exact Mass228.14
IUPAC Name(Z)-7-[(1R,2S,4S)-2,4-dihydroxycyclopentyl]hept-5-enoic acid
SMILESO=C(O)CCC/C=C\C[C@@H]1C[C@H](O)C[C@@H]1O
InChIInChI=1S/C12H20O4/c13-10-7-9(11(14)8-10)5-3-1-2-4-6-12(15)16/h1,3,9-11,13-14H,2,4-8H2,(H,15,16)/b3-1-/t9-,10+,11+/m1/s1
InChIKeyDBJRTSSBFWGZMB-QSTZJVRWSA-N
XLogP1.32
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 51.32
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'}

Analyze (Z)-7-[(1R,2S,4S)-2,4-dihydroxycyclopentyl]hept-5-enoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-chlorophenoxy)but-3-en-2-ol;(Z)-7-(2,4-dihydroxycyclopentyl)hept-5-enoic acid
CID 177175760
(Z)-7-(2-bicyclo[2.2.1]heptanyl)hept-5-enoic acid
CID 70511264
(E)-7-(5-hydroxycyclopent-2-en-1-yl)hept-5-enoic acid
CID 13427657
(E)-7-[2-[(2E,4E)-6-hydroxyhepta-2,4-dienyl]cyclopropyl]hept-5-enoic acid
CID 20579782
7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-non-1-enylcyclopentyl]hept-5-enoic acid
CID 54269454
tetradeca-5,8-dienedioic acid
CID 54091580
7-[(3S)-2-acetyl-6,6-dimethyl-3-bicyclo[3.1.1]heptanyl]hept-5-enoic acid
CID 57096829
(Z)-dodec-5-enedioic acid
CID 86751837
7-[(1S,2S,3S,4S)-3-hydroxy-7-oxabicyclo[2.2.1]heptan-2-yl]hept-5-enoic acid
CID 54510752
7-[(1S,2S,3R,4R)-3-hydroxy-7-oxabicyclo[2.2.1]heptan-2-yl]hept-5-enoic acid
CID 54510753
(Z)-7-[(1R)-4-oxocyclopent-2-en-1-yl]hept-5-enoic acid
CID 138978370
(Z)-8-[(1R,2S,3R)-2-[(E)-hex-1-enyl]-3-hydroxycyclopentyl]oct-6-enoic acid
CID 143310807

Frequently Asked Questions

What is the IUPAC name of (Z)-7-[(1R,2S,4S)-2,4-dihydroxycyclopentyl]hept-5-enoic acid?
The IUPAC name of (Z)-7-[(1R,2S,4S)-2,4-dihydroxycyclopentyl]hept-5-enoic acid (CID 118934373) is (Z)-7-[(1R,2S,4S)-2,4-dihydroxycyclopentyl]hept-5-enoic acid.
What is the SMILES notation for (Z)-7-[(1R,2S,4S)-2,4-dihydroxycyclopentyl]hept-5-enoic acid?
The canonical SMILES for (Z)-7-[(1R,2S,4S)-2,4-dihydroxycyclopentyl]hept-5-enoic acid is O=C(O)CCC/C=C\C[C@@H]1C[C@H](O)C[C@@H]1O.
What is the InChIKey of (Z)-7-[(1R,2S,4S)-2,4-dihydroxycyclopentyl]hept-5-enoic acid?
The InChIKey is DBJRTSSBFWGZMB-QSTZJVRWSA-N. The full InChI is InChI=1S/C12H20O4/c13-10-7-9(11(14)8-10)5-3-1-2-4-6-12(15)16/h1,3,9-11,13-14H,2,4-8H2,(H,15,16)/b3-1-/t9-,10+,11+/m1/s1.
What are the key properties of (Z)-7-[(1R,2S,4S)-2,4-dihydroxycyclopentyl]hept-5-enoic acid?
(Z)-7-[(1R,2S,4S)-2,4-dihydroxycyclopentyl]hept-5-enoic acid has a molecular weight of 228.29 g/mol, XLogP of 1.32, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-7-[(1R,2S,4S)-2,4-dihydroxycyclopentyl]hept-5-enoic acid is sourced from PubChem (CID 118934373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).