(Z)-3,5-dihydroxy-4-oxo-3-pentylpentadec-5-enoic acid

C20H36O5 — CID 87120540

IUPAC(Z)-3,5-dihydroxy-4-oxo-3-pentylpentadec-5-enoic acid
SMILESCCCCCCCCC/C=C(\O)C(=O)C(O)(CCCCC)CC(=O)O
InChIInChI=1S/C20H36O5/c1-3-5-7-8-9-10-11-12-14-17(21)19(24)20(25,16-18(22)23)15-13-6-4-2/h14,21,25H,3-13,15-16H2,1-2H3,(H,22,23)/b17-14-
InChIKeyKNDAJFFDRUBQFX-VKAVYKQESA-N
MW356.50 g/mol
LogP4.92
Rot. Bonds16

About (Z)-3,5-dihydroxy-4-oxo-3-pentylpentadec-5-enoic acid

(Z)-3,5-dihydroxy-4-oxo-3-pentylpentadec-5-enoic acid (PubChem CID 87120540) has the molecular formula C20H36O5 and a molecular weight of 356.50 g/mol. Its IUPAC name is (Z)-3,5-dihydroxy-4-oxo-3-pentylpentadec-5-enoic acid.

Molecular Properties

Compound Name(Z)-3,5-dihydroxy-4-oxo-3-pentylpentadec-5-enoic acid
PubChem CID87120540
Molecular FormulaC20H36O5
Molecular Weight356.50 g/mol
Exact Mass356.26
IUPAC Name(Z)-3,5-dihydroxy-4-oxo-3-pentylpentadec-5-enoic acid
SMILESCCCCCCCCC/C=C(\O)C(=O)C(O)(CCCCC)CC(=O)O
InChIInChI=1S/C20H36O5/c1-3-5-7-8-9-10-11-12-14-17(21)19(24)20(25,16-18(22)23)15-13-6-4-2/h14,21,25H,3-13,15-16H2,1-2H3,(H,22,23)/b17-14-
InChIKeyKNDAJFFDRUBQFX-VKAVYKQESA-N
XLogP4.92
TPSA94.83 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.50
LogP ≤ 54.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (Z)-3,5-dihydroxy-4-oxo-3-pentylpentadec-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

2-Acetoxyrhizopogone
CID 139587222
[(1R,2R)-16-hydroxy-4,8,12-trimethyl-2-(2-methylprop-1-enyl)-17,18,19-trioxo-1-bicyclo[13.2.2]nonadeca-4,8,12,15-tetraenyl] acetate
CID 162896373
[(1R,2R,4E,8E,12E)-16-hydroxy-4,8,12-trimethyl-2-(2-methylprop-1-enyl)-17,18,19-trioxo-1-bicyclo[13.2.2]nonadeca-4,8,12,15-tetraenyl] acetate
CID 163185017
[(2S)-16-hydroxy-4,8,12-trimethyl-2-(2-methylprop-1-enyl)-17,18,19-trioxo-1-bicyclo[13.2.2]nonadeca-4,8,12,15-tetraenyl] acetate
CID 172014467
(Z)-3,5-dihydroxy-4-oxo-3-pentyltridec-5-enoic acid
CID 87120365
(Z)-3-heptyl-3,5-dihydroxy-4-oxoheptadec-5-enoic acid
CID 89573666
(Z)-3-heptyl-3,5-dihydroxy-4-oxopentadec-5-enoic acid
CID 89573882
(Z)-3,5-dihydroxy-3-nonyl-4-oxopentadec-5-enoic acid
CID 89573911
(Z)-3-heptyl-3,5-dihydroxy-4-oxotridec-5-enoic acid
CID 89573953
[(2S,4E,8E,12E)-16-hydroxy-4,8,12-trimethyl-2-(2-methylprop-1-enyl)-17,18,19-trioxo-1-bicyclo[13.2.2]nonadeca-4,8,12,15-tetraenyl] acetate
CID 25243534
[16-Hydroxy-4,8,12-trimethyl-2-(2-methylprop-1-enyl)-17,18,19-trioxo-1-bicyclo[13.2.2]nonadeca-4,8,12,15-tetraenyl] acetate
CID 74413147
[(1R,2S,4Z,8Z,12Z)-16-hydroxy-4,8,12-trimethyl-2-(2-methylprop-1-enyl)-17,18,19-trioxo-1-bicyclo[13.2.2]nonadeca-4,8,12,15-tetraenyl] acetate
CID 162896371

Frequently Asked Questions

What is the IUPAC name of (Z)-3,5-dihydroxy-4-oxo-3-pentylpentadec-5-enoic acid?
The IUPAC name of (Z)-3,5-dihydroxy-4-oxo-3-pentylpentadec-5-enoic acid (CID 87120540) is (Z)-3,5-dihydroxy-4-oxo-3-pentylpentadec-5-enoic acid.
What is the SMILES notation for (Z)-3,5-dihydroxy-4-oxo-3-pentylpentadec-5-enoic acid?
The canonical SMILES for (Z)-3,5-dihydroxy-4-oxo-3-pentylpentadec-5-enoic acid is CCCCCCCCC/C=C(\O)C(=O)C(O)(CCCCC)CC(=O)O.
What is the InChIKey of (Z)-3,5-dihydroxy-4-oxo-3-pentylpentadec-5-enoic acid?
The InChIKey is KNDAJFFDRUBQFX-VKAVYKQESA-N. The full InChI is InChI=1S/C20H36O5/c1-3-5-7-8-9-10-11-12-14-17(21)19(24)20(25,16-18(22)23)15-13-6-4-2/h14,21,25H,3-13,15-16H2,1-2H3,(H,22,23)/b17-14-.
What are the key properties of (Z)-3,5-dihydroxy-4-oxo-3-pentylpentadec-5-enoic acid?
(Z)-3,5-dihydroxy-4-oxo-3-pentylpentadec-5-enoic acid has a molecular weight of 356.50 g/mol, XLogP of 4.92, 16 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3,5-dihydroxy-4-oxo-3-pentylpentadec-5-enoic acid is sourced from PubChem (CID 87120540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).