8-ethynyl-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraene

C22H34 — CID 91571910

IUPAC8-ethynyl-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraene
SMILESC#CC(C=C(C)CCC=C(C)C)CC=C(C)CCC=C(C)C
InChIInChI=1S/C22H34/c1-8-22(17-21(7)14-10-12-19(4)5)16-15-20(6)13-9-11-18(2)3/h1,11-12,15,17,22H,9-10,13-14,16H2,2-7H3
InChIKeyONCHUWLFZIWTOT-UHFFFAOYSA-N
MW298.51 g/mol
LogP7.01
Rot. Bonds9

About 8-ethynyl-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraene

8-ethynyl-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraene (PubChem CID 91571910) has the molecular formula C22H34 and a molecular weight of 298.51 g/mol. Its IUPAC name is 8-ethynyl-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraene.

Molecular Properties

Compound Name8-ethynyl-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraene
PubChem CID91571910
Molecular FormulaC22H34
Molecular Weight298.51 g/mol
Exact Mass298.27
IUPAC Name8-ethynyl-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraene
SMILESC#CC(C=C(C)CCC=C(C)C)CC=C(C)CCC=C(C)C
InChIInChI=1S/C22H34/c1-8-22(17-21(7)14-10-12-19(4)5)16-15-20(6)13-9-11-18(2)3/h1,11-12,15,17,22H,9-10,13-14,16H2,2-7H3
InChIKeyONCHUWLFZIWTOT-UHFFFAOYSA-N
XLogP7.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.51
LogP ≤ 57.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 8-ethynyl-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraene 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

5,9,14,18,22-Pentamethyl-tricosa-5,9,13,17,21-pentaen-1-yne
CID 14544609
5,9,14,18-Tetramethyl-docosa-5,9,13,17-tetraene-1,21-diyne
CID 14544610
Dimethylsqualene
CID 129848299
(5E)-6,10-Dimethyl-5,9-undecadien-1-yne
CID 5365876
(5Z)-6,10-dimethylundeca-5,9-dien-1-yne
CID 11286780
4,8-Dimethylnon-7-en-1-yne
CID 10909746
(5E,9E)-6,10,14-trimethylpentadeca-5,9,13-trien-1-yne
CID 10955809
3,7-Dimethyloct-6-en-1-yne
CID 12176841
9-[(E)-but-2-en-2-yl]-2,6,12-trimethyltrideca-2,6,11-triene
CID 57111687
2,6,10,15,19,23,24-Heptamethylpentacosa-2,6,10,14,18,22-hexaene
CID 91217083
5-Decene, 4-ethynyl-, (E)-
CID 5367312
2,6,10-Pristatriene
CID 6428641

Frequently Asked Questions

What is the IUPAC name of 8-ethynyl-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraene?
The IUPAC name of 8-ethynyl-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraene (CID 91571910) is 8-ethynyl-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraene.
What is the SMILES notation for 8-ethynyl-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraene?
The canonical SMILES for 8-ethynyl-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraene is C#CC(C=C(C)CCC=C(C)C)CC=C(C)CCC=C(C)C.
What is the InChIKey of 8-ethynyl-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraene?
The InChIKey is ONCHUWLFZIWTOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34/c1-8-22(17-21(7)14-10-12-19(4)5)16-15-20(6)13-9-11-18(2)3/h1,11-12,15,17,22H,9-10,13-14,16H2,2-7H3.
What are the key properties of 8-ethynyl-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraene?
8-ethynyl-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraene has a molecular weight of 298.51 g/mol, XLogP of 7.01, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethynyl-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraene is sourced from PubChem (CID 91571910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).