heptadeca-8,16-dien-1,3,5-triyne

C17H20 — CID 163063195

IUPACheptadeca-8,16-dien-1,3,5-triyne
SMILESC#CC#CC#CCC=CCCCCCCC=C
InChIInChI=1S/C17H20/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h1,4,15,17H,2,6,8,10,12-14,16H2
InChIKeyIPBUQXVIRAJVIC-UHFFFAOYSA-N
MW224.35 g/mol
LogP4.10
Rot. Bonds8

About heptadeca-8,16-dien-1,3,5-triyne

heptadeca-8,16-dien-1,3,5-triyne (PubChem CID 163063195) has the molecular formula C17H20 and a molecular weight of 224.35 g/mol. Its IUPAC name is heptadeca-8,16-dien-1,3,5-triyne.

Molecular Properties

Compound Nameheptadeca-8,16-dien-1,3,5-triyne
PubChem CID163063195
Molecular FormulaC17H20
Molecular Weight224.35 g/mol
Exact Mass224.16
IUPAC Nameheptadeca-8,16-dien-1,3,5-triyne
SMILESC#CC#CC#CCC=CCCCCCCC=C
InChIInChI=1S/C17H20/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h1,4,15,17H,2,6,8,10,12-14,16H2
InChIKeyIPBUQXVIRAJVIC-UHFFFAOYSA-N
XLogP4.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,9-Cyclohexadecadiene
CID 44148196
4-Hexadecen-6-yne, (E)-
CID 5365640
(3Z,18Z)-henicosa-3,18-dien-1,8,10,20-tetrayne
CID 10636218
Callypentayne
CID 10778600
1,8,15-Heptadecatriene-11,13-diyne
CID 149752
(1E,9E)-cyclohexadeca-1,9-diene
CID 5362807
(8E,15E)-1,8,15-Heptadecatriene-11,13-diyne
CID 131751122
(3E,15Z)-docosa-3,15-dien-1-yne
CID 44584674
(3Z,10E,19Z)-docosa-3,10,19-trien-1,8,21-triyne
CID 10708813
(Z)-henicos-3-en-1,8,20-triyne
CID 10850502
3-Decen-1-yne, (E)-
CID 5367345
3-Heptadecen-5-yne, (Z)-
CID 5367448

Frequently Asked Questions

What is the IUPAC name of heptadeca-8,16-dien-1,3,5-triyne?
The IUPAC name of heptadeca-8,16-dien-1,3,5-triyne (CID 163063195) is heptadeca-8,16-dien-1,3,5-triyne.
What is the SMILES notation for heptadeca-8,16-dien-1,3,5-triyne?
The canonical SMILES for heptadeca-8,16-dien-1,3,5-triyne is C#CC#CC#CCC=CCCCCCCC=C.
What is the InChIKey of heptadeca-8,16-dien-1,3,5-triyne?
The InChIKey is IPBUQXVIRAJVIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h1,4,15,17H,2,6,8,10,12-14,16H2.
What are the key properties of heptadeca-8,16-dien-1,3,5-triyne?
heptadeca-8,16-dien-1,3,5-triyne has a molecular weight of 224.35 g/mol, XLogP of 4.10, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for heptadeca-8,16-dien-1,3,5-triyne is sourced from PubChem (CID 163063195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).