(5Z,8S,9E)-10-[(1S,2R,3R,5S)-3,5-dihydroxy-2-pentylcyclopentyl]-8-hydroxydeca-5,9-dienoic acid

C20H34O5 — CID 11245181

IUPAC(5Z,8S,9E)-10-[(1S,2R,3R,5S)-3,5-dihydroxy-2-pentylcyclopentyl]-8-hydroxydeca-5,9-dienoic acid
SMILESCCCCC[C@@H]1[C@H](/C=C/[C@@H](O)C/C=C\CCCC(=O)O)[C@@H](O)C[C@H]1O
InChIInChI=1S/C20H34O5/c1-2-3-6-10-16-17(19(23)14-18(16)22)13-12-15(21)9-7-4-5-8-11-20(24)25/h4,7,12-13,15-19,21-23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17-,18+,19-/m0/s1
InChIKeyMZYZWZXTHYCVHQ-XNTKLVSTSA-N
MW354.49 g/mol
LogP3.04
Rot. Bonds12

About (5Z,8S,9E)-10-[(1S,2R,3R,5S)-3,5-dihydroxy-2-pentylcyclopentyl]-8-hydroxydeca-5,9-dienoic acid

(5Z,8S,9E)-10-[(1S,2R,3R,5S)-3,5-dihydroxy-2-pentylcyclopentyl]-8-hydroxydeca-5,9-dienoic acid (PubChem CID 11245181) has the molecular formula C20H34O5 and a molecular weight of 354.49 g/mol. Its IUPAC name is (5Z,8S,9E)-10-[(1S,2R,3R,5S)-3,5-dihydroxy-2-pentylcyclopentyl]-8-hydroxydeca-5,9-dienoic acid.

Molecular Properties

Compound Name(5Z,8S,9E)-10-[(1S,2R,3R,5S)-3,5-dihydroxy-2-pentylcyclopentyl]-8-hydroxydeca-5,9-dienoic acid
PubChem CID11245181
Molecular FormulaC20H34O5
Molecular Weight354.49 g/mol
Exact Mass354.24
IUPAC Name(5Z,8S,9E)-10-[(1S,2R,3R,5S)-3,5-dihydroxy-2-pentylcyclopentyl]-8-hydroxydeca-5,9-dienoic acid
SMILESCCCCC[C@@H]1[C@H](/C=C/[C@@H](O)C/C=C\CCCC(=O)O)[C@@H](O)C[C@H]1O
InChIInChI=1S/C20H34O5/c1-2-3-6-10-16-17(19(23)14-18(16)22)13-12-15(21)9-7-4-5-8-11-20(24)25/h4,7,12-13,15-19,21-23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17-,18+,19-/m0/s1
InChIKeyMZYZWZXTHYCVHQ-XNTKLVSTSA-N
XLogP3.04
TPSA97.99 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.49
LogP ≤ 53.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (5Z,8S,9E)-10-[(1S,2R,3R,5S)-3,5-dihydroxy-2-pentylcyclopentyl]-8-hydroxydeca-5,9-dienoic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5Z,8S,9E)-10-[(1S,2R,3R,5S)-3,5-dihydroxy-2-pentylcyclopentyl]-8-hydroxydeca-5,9-dienoic acid?
The IUPAC name of (5Z,8S,9E)-10-[(1S,2R,3R,5S)-3,5-dihydroxy-2-pentylcyclopentyl]-8-hydroxydeca-5,9-dienoic acid (CID 11245181) is (5Z,8S,9E)-10-[(1S,2R,3R,5S)-3,5-dihydroxy-2-pentylcyclopentyl]-8-hydroxydeca-5,9-dienoic acid.
What is the SMILES notation for (5Z,8S,9E)-10-[(1S,2R,3R,5S)-3,5-dihydroxy-2-pentylcyclopentyl]-8-hydroxydeca-5,9-dienoic acid?
The canonical SMILES for (5Z,8S,9E)-10-[(1S,2R,3R,5S)-3,5-dihydroxy-2-pentylcyclopentyl]-8-hydroxydeca-5,9-dienoic acid is CCCCC[C@@H]1[C@H](/C=C/[C@@H](O)C/C=C\CCCC(=O)O)[C@@H](O)C[C@H]1O.
What is the InChIKey of (5Z,8S,9E)-10-[(1S,2R,3R,5S)-3,5-dihydroxy-2-pentylcyclopentyl]-8-hydroxydeca-5,9-dienoic acid?
The InChIKey is MZYZWZXTHYCVHQ-XNTKLVSTSA-N. The full InChI is InChI=1S/C20H34O5/c1-2-3-6-10-16-17(19(23)14-18(16)22)13-12-15(21)9-7-4-5-8-11-20(24)25/h4,7,12-13,15-19,21-23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17-,18+,19-/m0/s1.
What are the key properties of (5Z,8S,9E)-10-[(1S,2R,3R,5S)-3,5-dihydroxy-2-pentylcyclopentyl]-8-hydroxydeca-5,9-dienoic acid?
(5Z,8S,9E)-10-[(1S,2R,3R,5S)-3,5-dihydroxy-2-pentylcyclopentyl]-8-hydroxydeca-5,9-dienoic acid has a molecular weight of 354.49 g/mol, XLogP of 3.04, 12 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,8S,9E)-10-[(1S,2R,3R,5S)-3,5-dihydroxy-2-pentylcyclopentyl]-8-hydroxydeca-5,9-dienoic acid is sourced from PubChem (CID 11245181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).