2,2,17,17-tetramethyloctadeca-5,9,13-trien-3,7,11,15-tetrayne

C22H24 — CID 71332867

IUPAC2,2,17,17-tetramethyloctadeca-5,9,13-trien-3,7,11,15-tetrayne
SMILESCC(C)(C)C#CC=CC#CC=CC#CC=CC#CC(C)(C)C
InChIInChI=1S/C22H24/c1-21(2,3)19-17-15-13-11-9-7-8-10-12-14-16-18-20-22(4,5)6/h7-8,13-16H,1-6H3
InChIKeyPTPSIMYQDPDUHJ-UHFFFAOYSA-N
MW288.43 g/mol
LogP4.76
Rot. Bonds

About 2,2,17,17-tetramethyloctadeca-5,9,13-trien-3,7,11,15-tetrayne

2,2,17,17-tetramethyloctadeca-5,9,13-trien-3,7,11,15-tetrayne (PubChem CID 71332867) has the molecular formula C22H24 and a molecular weight of 288.43 g/mol. Its IUPAC name is 2,2,17,17-tetramethyloctadeca-5,9,13-trien-3,7,11,15-tetrayne.

Molecular Properties

Compound Name2,2,17,17-tetramethyloctadeca-5,9,13-trien-3,7,11,15-tetrayne
PubChem CID71332867
Molecular FormulaC22H24
Molecular Weight288.43 g/mol
Exact Mass288.19
IUPAC Name2,2,17,17-tetramethyloctadeca-5,9,13-trien-3,7,11,15-tetrayne
SMILESCC(C)(C)C#CC=CC#CC=CC#CC=CC#CC(C)(C)C
InChIInChI=1S/C22H24/c1-21(2,3)19-17-15-13-11-9-7-8-10-12-14-16-18-20-22(4,5)6/h7-8,13-16H,1-6H3
InChIKeyPTPSIMYQDPDUHJ-UHFFFAOYSA-N
XLogP4.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,17,17-tetramethyloctadeca-5,9,13-trien-3,7,11,15-tetrayne?
The IUPAC name of 2,2,17,17-tetramethyloctadeca-5,9,13-trien-3,7,11,15-tetrayne (CID 71332867) is 2,2,17,17-tetramethyloctadeca-5,9,13-trien-3,7,11,15-tetrayne.
What is the SMILES notation for 2,2,17,17-tetramethyloctadeca-5,9,13-trien-3,7,11,15-tetrayne?
The canonical SMILES for 2,2,17,17-tetramethyloctadeca-5,9,13-trien-3,7,11,15-tetrayne is CC(C)(C)C#CC=CC#CC=CC#CC=CC#CC(C)(C)C.
What is the InChIKey of 2,2,17,17-tetramethyloctadeca-5,9,13-trien-3,7,11,15-tetrayne?
The InChIKey is PTPSIMYQDPDUHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24/c1-21(2,3)19-17-15-13-11-9-7-8-10-12-14-16-18-20-22(4,5)6/h7-8,13-16H,1-6H3.
What are the key properties of 2,2,17,17-tetramethyloctadeca-5,9,13-trien-3,7,11,15-tetrayne?
2,2,17,17-tetramethyloctadeca-5,9,13-trien-3,7,11,15-tetrayne has a molecular weight of 288.43 g/mol, XLogP of 4.76, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,17,17-tetramethyloctadeca-5,9,13-trien-3,7,11,15-tetrayne is sourced from PubChem (CID 71332867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).