[(2Z,5E,7R)-7-hydroxy-2-[(E)-6-hydroxy-4-methylhex-4-enylidene]-6,10-dimethylundeca-5,9-dienyl] acetate

C22H36O4 — CID 25147192

IUPAC[(2Z,5E,7R)-7-hydroxy-2-[(E)-6-hydroxy-4-methylhex-4-enylidene]-6,10-dimethylundeca-5,9-dienyl] acetate
SMILESCC(=O)OC/C(=C\CC/C(C)=C/CO)CC/C=C(\C)[C@H](O)CC=C(C)C
InChIInChI=1S/C22H36O4/c1-17(2)12-13-22(25)19(4)9-7-11-21(16-26-20(5)24)10-6-8-18(3)14-15-23/h9-10,12,14,22-23,25H,6-8,11,13,15-16H2,1-5H3/b18-14+,19-9+,21-10-/t22-/m1/s1
InChIKeyZCOFHYGAZMGATH-ORMYALOKSA-N
MW364.53 g/mol
LogP4.64
Rot. Bonds12

About [(2Z,5E,7R)-7-hydroxy-2-[(E)-6-hydroxy-4-methylhex-4-enylidene]-6,10-dimethylundeca-5,9-dienyl] acetate

[(2Z,5E,7R)-7-hydroxy-2-[(E)-6-hydroxy-4-methylhex-4-enylidene]-6,10-dimethylundeca-5,9-dienyl] acetate (PubChem CID 25147192) has the molecular formula C22H36O4 and a molecular weight of 364.53 g/mol. Its IUPAC name is [(2Z,5E,7R)-7-hydroxy-2-[(E)-6-hydroxy-4-methylhex-4-enylidene]-6,10-dimethylundeca-5,9-dienyl] acetate.

Molecular Properties

Compound Name[(2Z,5E,7R)-7-hydroxy-2-[(E)-6-hydroxy-4-methylhex-4-enylidene]-6,10-dimethylundeca-5,9-dienyl] acetate
PubChem CID25147192
Molecular FormulaC22H36O4
Molecular Weight364.53 g/mol
Exact Mass364.26
IUPAC Name[(2Z,5E,7R)-7-hydroxy-2-[(E)-6-hydroxy-4-methylhex-4-enylidene]-6,10-dimethylundeca-5,9-dienyl] acetate
SMILESCC(=O)OC/C(=C\CC/C(C)=C/CO)CC/C=C(\C)[C@H](O)CC=C(C)C
InChIInChI=1S/C22H36O4/c1-17(2)12-13-22(25)19(4)9-7-11-21(16-26-20(5)24)10-6-8-18(3)14-15-23/h9-10,12,14,22-23,25H,6-8,11,13,15-16H2,1-5H3/b18-14+,19-9+,21-10-/t22-/m1/s1
InChIKeyZCOFHYGAZMGATH-ORMYALOKSA-N
XLogP4.64
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.53
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [(2Z,5E,7R)-7-hydroxy-2-[(E)-6-hydroxy-4-methylhex-4-enylidene]-6,10-dimethylundeca-5,9-dienyl] acetate 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 [(2Z,5E,7R)-7-hydroxy-2-[(E)-6-hydroxy-4-methylhex-4-enylidene]-6,10-dimethylundeca-5,9-dienyl] acetate?
The IUPAC name of [(2Z,5E,7R)-7-hydroxy-2-[(E)-6-hydroxy-4-methylhex-4-enylidene]-6,10-dimethylundeca-5,9-dienyl] acetate (CID 25147192) is [(2Z,5E,7R)-7-hydroxy-2-[(E)-6-hydroxy-4-methylhex-4-enylidene]-6,10-dimethylundeca-5,9-dienyl] acetate.
What is the SMILES notation for [(2Z,5E,7R)-7-hydroxy-2-[(E)-6-hydroxy-4-methylhex-4-enylidene]-6,10-dimethylundeca-5,9-dienyl] acetate?
The canonical SMILES for [(2Z,5E,7R)-7-hydroxy-2-[(E)-6-hydroxy-4-methylhex-4-enylidene]-6,10-dimethylundeca-5,9-dienyl] acetate is CC(=O)OC/C(=C\CC/C(C)=C/CO)CC/C=C(\C)[C@H](O)CC=C(C)C.
What is the InChIKey of [(2Z,5E,7R)-7-hydroxy-2-[(E)-6-hydroxy-4-methylhex-4-enylidene]-6,10-dimethylundeca-5,9-dienyl] acetate?
The InChIKey is ZCOFHYGAZMGATH-ORMYALOKSA-N. The full InChI is InChI=1S/C22H36O4/c1-17(2)12-13-22(25)19(4)9-7-11-21(16-26-20(5)24)10-6-8-18(3)14-15-23/h9-10,12,14,22-23,25H,6-8,11,13,15-16H2,1-5H3/b18-14+,19-9+,21-10-/t22-/m1/s1.
What are the key properties of [(2Z,5E,7R)-7-hydroxy-2-[(E)-6-hydroxy-4-methylhex-4-enylidene]-6,10-dimethylundeca-5,9-dienyl] acetate?
[(2Z,5E,7R)-7-hydroxy-2-[(E)-6-hydroxy-4-methylhex-4-enylidene]-6,10-dimethylundeca-5,9-dienyl] acetate has a molecular weight of 364.53 g/mol, XLogP of 4.64, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2Z,5E,7R)-7-hydroxy-2-[(E)-6-hydroxy-4-methylhex-4-enylidene]-6,10-dimethylundeca-5,9-dienyl] acetate is sourced from PubChem (CID 25147192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).