(1R,2R,3S,5S)-5-[(1E,3E)-hepta-1,3-dienyl]-2,3-dihydroxycyclopentane-1-carboxylic acid

C13H20O4 — CID 51693043

IUPAC(1R,2R,3S,5S)-5-[(1E,3E)-hepta-1,3-dienyl]-2,3-dihydroxycyclopentane-1-carboxylic acid
SMILESCCC/C=C/C=C/[C@@H]1C[C@H](O)[C@H](O)[C@@H]1C(=O)O
InChIInChI=1S/C13H20O4/c1-2-3-4-5-6-7-9-8-10(14)12(15)11(9)13(16)17/h4-7,9-12,14-15H,2-3,8H2,1H3,(H,16,17)/b5-4+,7-6+/t9-,10+,11-,12+/m1/s1
InChIKeyQNHUKXZHEMSPPA-VSUPOFTBSA-N
MW240.30 g/mol
LogP1.34
Rot. Bonds5

About (1R,2R,3S,5S)-5-[(1E,3E)-hepta-1,3-dienyl]-2,3-dihydroxycyclopentane-1-carboxylic acid

(1R,2R,3S,5S)-5-[(1E,3E)-hepta-1,3-dienyl]-2,3-dihydroxycyclopentane-1-carboxylic acid (PubChem CID 51693043) has the molecular formula C13H20O4 and a molecular weight of 240.30 g/mol. Its IUPAC name is (1R,2R,3S,5S)-5-[(1E,3E)-hepta-1,3-dienyl]-2,3-dihydroxycyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name(1R,2R,3S,5S)-5-[(1E,3E)-hepta-1,3-dienyl]-2,3-dihydroxycyclopentane-1-carboxylic acid
PubChem CID51693043
Molecular FormulaC13H20O4
Molecular Weight240.30 g/mol
Exact Mass240.14
IUPAC Name(1R,2R,3S,5S)-5-[(1E,3E)-hepta-1,3-dienyl]-2,3-dihydroxycyclopentane-1-carboxylic acid
SMILESCCC/C=C/C=C/[C@@H]1C[C@H](O)[C@H](O)[C@@H]1C(=O)O
InChIInChI=1S/C13H20O4/c1-2-3-4-5-6-7-9-8-10(14)12(15)11(9)13(16)17/h4-7,9-12,14-15H,2-3,8H2,1H3,(H,16,17)/b5-4+,7-6+/t9-,10+,11-,12+/m1/s1
InChIKeyQNHUKXZHEMSPPA-VSUPOFTBSA-N
XLogP1.34
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (1R,2R,3S,5S)-5-[(1E,3E)-hepta-1,3-dienyl]-2,3-dihydroxycyclopentane-1-carboxylic 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

(4R,5S)-4-[(1E,3E)-hepta-1,3-dienyl]-5-methyloxolan-2-one
CID 131873050
1-(2-nona-1,3-dienylcyclopropyl)prop-2-en-1-one
CID 57076545
(3E)-nona-3,5-dien-2-one
CID 131243861
1-[2-[(E)-pent-1-enyl]cyclopropyl]ethanone
CID 130036272
docosa-4,7,10,14,16,18-hexaenoic acid
CID 123967025
docosa-2,5,7,9,11,13-hexaenoic acid
CID 90960184
3-[(3aS,4R,5R,6aS)-5-hydroxy-4-[(E)-pent-1-enyl]-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]propanoic acid
CID 90135301
(10E,12Z)-hexadeca-10,12-dienoic acid
CID 87408133
2-methyldeca-2,4,6-trienoic acid
CID 54490128
(2Z,4E)-2-hydroxyocta-2,4-dienoic acid
CID 87665595
(2E,4E)-5-[(1S,2R,3S,4aR,5S,8S,8aS)-2-[(Z)-hex-2-en-2-yl]-5-hydroxy-3,8-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]penta-2,4-dienoic acid
CID 58193140
(1S)-2-[(Z)-hept-1-enyl]cyclopropane-1-carboxylic acid
CID 143897565

Frequently Asked Questions

What is the IUPAC name of (1R,2R,3S,5S)-5-[(1E,3E)-hepta-1,3-dienyl]-2,3-dihydroxycyclopentane-1-carboxylic acid?
The IUPAC name of (1R,2R,3S,5S)-5-[(1E,3E)-hepta-1,3-dienyl]-2,3-dihydroxycyclopentane-1-carboxylic acid (CID 51693043) is (1R,2R,3S,5S)-5-[(1E,3E)-hepta-1,3-dienyl]-2,3-dihydroxycyclopentane-1-carboxylic acid.
What is the SMILES notation for (1R,2R,3S,5S)-5-[(1E,3E)-hepta-1,3-dienyl]-2,3-dihydroxycyclopentane-1-carboxylic acid?
The canonical SMILES for (1R,2R,3S,5S)-5-[(1E,3E)-hepta-1,3-dienyl]-2,3-dihydroxycyclopentane-1-carboxylic acid is CCC/C=C/C=C/[C@@H]1C[C@H](O)[C@H](O)[C@@H]1C(=O)O.
What is the InChIKey of (1R,2R,3S,5S)-5-[(1E,3E)-hepta-1,3-dienyl]-2,3-dihydroxycyclopentane-1-carboxylic acid?
The InChIKey is QNHUKXZHEMSPPA-VSUPOFTBSA-N. The full InChI is InChI=1S/C13H20O4/c1-2-3-4-5-6-7-9-8-10(14)12(15)11(9)13(16)17/h4-7,9-12,14-15H,2-3,8H2,1H3,(H,16,17)/b5-4+,7-6+/t9-,10+,11-,12+/m1/s1.
What are the key properties of (1R,2R,3S,5S)-5-[(1E,3E)-hepta-1,3-dienyl]-2,3-dihydroxycyclopentane-1-carboxylic acid?
(1R,2R,3S,5S)-5-[(1E,3E)-hepta-1,3-dienyl]-2,3-dihydroxycyclopentane-1-carboxylic acid has a molecular weight of 240.30 g/mol, XLogP of 1.34, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,3S,5S)-5-[(1E,3E)-hepta-1,3-dienyl]-2,3-dihydroxycyclopentane-1-carboxylic acid is sourced from PubChem (CID 51693043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).