1-ethenyl-4-octa-1,3,5,7-tetraynylbenzene;molecular hydrogen

C16H26 — CID 157136977

IUPAC1-ethenyl-4-octa-1,3,5,7-tetraynylbenzene;molecular hydrogen
SMILESC#CC#CC#CC#Cc1ccc(C=C)cc1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C16H8.9H2/c1-3-5-6-7-8-9-10-16-13-11-15(4-2)12-14-16;;;;;;;;;/h1,4,11-14H,2H2;9*1H
InChIKeyAJSSWLSWFJRPBQ-UHFFFAOYSA-N
MW218.38 g/mol
LogP4.54
Rot. Bonds1

About 1-ethenyl-4-octa-1,3,5,7-tetraynylbenzene;molecular hydrogen

1-ethenyl-4-octa-1,3,5,7-tetraynylbenzene;molecular hydrogen (PubChem CID 157136977) has the molecular formula C16H26 and a molecular weight of 218.38 g/mol. Its IUPAC name is 1-ethenyl-4-octa-1,3,5,7-tetraynylbenzene;molecular hydrogen.

Molecular Properties

Compound Name1-ethenyl-4-octa-1,3,5,7-tetraynylbenzene;molecular hydrogen
PubChem CID157136977
Molecular FormulaC16H26
Molecular Weight218.38 g/mol
Exact Mass218.20
IUPAC Name1-ethenyl-4-octa-1,3,5,7-tetraynylbenzene;molecular hydrogen
SMILESC#CC#CC#CC#Cc1ccc(C=C)cc1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C16H8.9H2/c1-3-5-6-7-8-9-10-16-13-11-15(4-2)12-14-16;;;;;;;;;/h1,4,11-14H,2H2;9*1H
InChIKeyAJSSWLSWFJRPBQ-UHFFFAOYSA-N
XLogP4.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.38
LogP ≤ 54.54
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 1-ethenyl-4-octa-1,3,5,7-tetraynylbenzene;molecular hydrogen?
The IUPAC name of 1-ethenyl-4-octa-1,3,5,7-tetraynylbenzene;molecular hydrogen (CID 157136977) is 1-ethenyl-4-octa-1,3,5,7-tetraynylbenzene;molecular hydrogen.
What is the SMILES notation for 1-ethenyl-4-octa-1,3,5,7-tetraynylbenzene;molecular hydrogen?
The canonical SMILES for 1-ethenyl-4-octa-1,3,5,7-tetraynylbenzene;molecular hydrogen is C#CC#CC#CC#Cc1ccc(C=C)cc1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].
What is the InChIKey of 1-ethenyl-4-octa-1,3,5,7-tetraynylbenzene;molecular hydrogen?
The InChIKey is AJSSWLSWFJRPBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8.9H2/c1-3-5-6-7-8-9-10-16-13-11-15(4-2)12-14-16;;;;;;;;;/h1,4,11-14H,2H2;9*1H.
What are the key properties of 1-ethenyl-4-octa-1,3,5,7-tetraynylbenzene;molecular hydrogen?
1-ethenyl-4-octa-1,3,5,7-tetraynylbenzene;molecular hydrogen has a molecular weight of 218.38 g/mol, XLogP of 4.54, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-4-octa-1,3,5,7-tetraynylbenzene;molecular hydrogen is sourced from PubChem (CID 157136977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).