[(2E,5E)-2-(2-iodoethylidene)-6,10-dimethylundeca-5,9-dienyl] acetate

C17H27IO2 — CID 170742837

IUPAC[(2E,5E)-2-(2-iodoethylidene)-6,10-dimethylundeca-5,9-dienyl] acetate
SMILESCC(=O)OC/C(=C/CI)CC/C=C(\C)CCC=C(C)C
InChIInChI=1S/C17H27IO2/c1-14(2)7-5-8-15(3)9-6-10-17(11-12-18)13-20-16(4)19/h7,9,11H,5-6,8,10,12-13H2,1-4H3/b15-9+,17-11+
InChIKeyHOQNJLGJLCHDDF-NZEDCCBKSA-N
MW390.31 g/mol
LogP5.38
Rot. Bonds9

About [(2E,5E)-2-(2-iodoethylidene)-6,10-dimethylundeca-5,9-dienyl] acetate

[(2E,5E)-2-(2-iodoethylidene)-6,10-dimethylundeca-5,9-dienyl] acetate (PubChem CID 170742837) has the molecular formula C17H27IO2 and a molecular weight of 390.31 g/mol. Its IUPAC name is [(2E,5E)-2-(2-iodoethylidene)-6,10-dimethylundeca-5,9-dienyl] acetate.

Molecular Properties

Compound Name[(2E,5E)-2-(2-iodoethylidene)-6,10-dimethylundeca-5,9-dienyl] acetate
PubChem CID170742837
Molecular FormulaC17H27IO2
Molecular Weight390.31 g/mol
Exact Mass390.11
IUPAC Name[(2E,5E)-2-(2-iodoethylidene)-6,10-dimethylundeca-5,9-dienyl] acetate
SMILESCC(=O)OC/C(=C/CI)CC/C=C(\C)CCC=C(C)C
InChIInChI=1S/C17H27IO2/c1-14(2)7-5-8-15(3)9-6-10-17(11-12-18)13-20-16(4)19/h7,9,11H,5-6,8,10,12-13H2,1-4H3/b15-9+,17-11+
InChIKeyHOQNJLGJLCHDDF-NZEDCCBKSA-N
XLogP5.38
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.31
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [(2E,5E)-2-(2-iodoethylidene)-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

Related Compounds

(2E,10E)-1-iodo-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraene
CID 175339928
3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,18,22,26,30,34-nonaenyl acetate
CID 78421842
[(2E)-6-methylidene-2-(4-methylpent-3-enyl)octa-2,7-dienyl] acetate
CID 25184885
5,9,13,17-tetramethyloctadeca-4,8,12,16-tetraenamide
CID 173416553
[2-(2-acetyloxypropylidene)-6-methylhept-5-enyl] acetate
CID 54053147
[(2E,6E)-7-(hydroxymethyl)-3,11-dimethyldodeca-2,6,10-trienyl] acetate
CID 21159763
[7-(acetyloxymethyl)-15-hydroxy-3,11,15-trimethyl-14-oxohexadeca-2,6,10-trienyl] acetate
CID 162908539
10-(acetyloxymethyl)-16-hydroxy-14-(hydroxymethyl)-2,6-dimethylhexadeca-2,6,10,14-tetraenoic acid
CID 162907165
[(2E,6E)-2,6-dimethylocta-2,6-dienyl] acetate
CID 88547676
(14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 131954652
(10E)-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraene
CID 173158415
2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 173324782

Frequently Asked Questions

What is the IUPAC name of [(2E,5E)-2-(2-iodoethylidene)-6,10-dimethylundeca-5,9-dienyl] acetate?
The IUPAC name of [(2E,5E)-2-(2-iodoethylidene)-6,10-dimethylundeca-5,9-dienyl] acetate (CID 170742837) is [(2E,5E)-2-(2-iodoethylidene)-6,10-dimethylundeca-5,9-dienyl] acetate.
What is the SMILES notation for [(2E,5E)-2-(2-iodoethylidene)-6,10-dimethylundeca-5,9-dienyl] acetate?
The canonical SMILES for [(2E,5E)-2-(2-iodoethylidene)-6,10-dimethylundeca-5,9-dienyl] acetate is CC(=O)OC/C(=C/CI)CC/C=C(\C)CCC=C(C)C.
What is the InChIKey of [(2E,5E)-2-(2-iodoethylidene)-6,10-dimethylundeca-5,9-dienyl] acetate?
The InChIKey is HOQNJLGJLCHDDF-NZEDCCBKSA-N. The full InChI is InChI=1S/C17H27IO2/c1-14(2)7-5-8-15(3)9-6-10-17(11-12-18)13-20-16(4)19/h7,9,11H,5-6,8,10,12-13H2,1-4H3/b15-9+,17-11+.
What are the key properties of [(2E,5E)-2-(2-iodoethylidene)-6,10-dimethylundeca-5,9-dienyl] acetate?
[(2E,5E)-2-(2-iodoethylidene)-6,10-dimethylundeca-5,9-dienyl] acetate has a molecular weight of 390.31 g/mol, XLogP of 5.38, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2E,5E)-2-(2-iodoethylidene)-6,10-dimethylundeca-5,9-dienyl] acetate is sourced from PubChem (CID 170742837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).