nona-1,3,5,7-tetraynylbenzene

C15H8 — CID 102149270

IUPACnona-1,3,5,7-tetraynylbenzene
SMILESCC#CC#CC#CC#Cc1ccccc1
InChIInChI=1S/C15H8/c1-2-3-4-5-6-7-9-12-15-13-10-8-11-14-15/h8,10-11,13-14H,1H3
InChIKeyCALHJBVGGARTPK-UHFFFAOYSA-N
MW188.23 g/mol
LogP2.07
Rot. Bonds

About nona-1,3,5,7-tetraynylbenzene

nona-1,3,5,7-tetraynylbenzene (PubChem CID 102149270) has the molecular formula C15H8 and a molecular weight of 188.23 g/mol. Its IUPAC name is nona-1,3,5,7-tetraynylbenzene.

Molecular Properties

Compound Namenona-1,3,5,7-tetraynylbenzene
PubChem CID102149270
Molecular FormulaC15H8
Molecular Weight188.23 g/mol
Exact Mass188.06
IUPAC Namenona-1,3,5,7-tetraynylbenzene
SMILESCC#CC#CC#CC#Cc1ccccc1
InChIInChI=1S/C15H8/c1-2-3-4-5-6-7-9-12-15-13-10-8-11-14-15/h8,10-11,13-14H,1H3
InChIKeyCALHJBVGGARTPK-UHFFFAOYSA-N
XLogP2.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 52.07
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 nona-1,3,5,7-tetraynylbenzene?
The IUPAC name of nona-1,3,5,7-tetraynylbenzene (CID 102149270) is nona-1,3,5,7-tetraynylbenzene.
What is the SMILES notation for nona-1,3,5,7-tetraynylbenzene?
The canonical SMILES for nona-1,3,5,7-tetraynylbenzene is CC#CC#CC#CC#Cc1ccccc1.
What is the InChIKey of nona-1,3,5,7-tetraynylbenzene?
The InChIKey is CALHJBVGGARTPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8/c1-2-3-4-5-6-7-9-12-15-13-10-8-11-14-15/h8,10-11,13-14H,1H3.
What are the key properties of nona-1,3,5,7-tetraynylbenzene?
nona-1,3,5,7-tetraynylbenzene has a molecular weight of 188.23 g/mol, XLogP of 2.07, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for nona-1,3,5,7-tetraynylbenzene is sourced from PubChem (CID 102149270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).