henicosa-2,4,6,8,10,12,14-heptayne

C21H16 — CID 176741061

IUPAChenicosa-2,4,6,8,10,12,14-heptayne
SMILESCC#CC#CC#CC#CC#CC#CC#CCCCCCC
InChIInChI=1S/C21H16/c1-3-5-7-9-11-13-15-17-19-21-20-18-16-14-12-10-8-6-4-2/h3,5,7,9,11H2,1-2H3
InChIKeyGOHBJBBSWVOGLC-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.00
Rot. Bonds4

About henicosa-2,4,6,8,10,12,14-heptayne

henicosa-2,4,6,8,10,12,14-heptayne (PubChem CID 176741061) has the molecular formula C21H16 and a molecular weight of 268.36 g/mol. Its IUPAC name is henicosa-2,4,6,8,10,12,14-heptayne.

Molecular Properties

Compound Namehenicosa-2,4,6,8,10,12,14-heptayne
PubChem CID176741061
Molecular FormulaC21H16
Molecular Weight268.36 g/mol
Exact Mass268.13
IUPAC Namehenicosa-2,4,6,8,10,12,14-heptayne
SMILESCC#CC#CC#CC#CC#CC#CC#CCCCCCC
InChIInChI=1S/C21H16/c1-3-5-7-9-11-13-15-17-19-21-20-18-16-14-12-10-8-6-4-2/h3,5,7,9,11H2,1-2H3
InChIKeyGOHBJBBSWVOGLC-UHFFFAOYSA-N
XLogP3.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of henicosa-2,4,6,8,10,12,14-heptayne?
The IUPAC name of henicosa-2,4,6,8,10,12,14-heptayne (CID 176741061) is henicosa-2,4,6,8,10,12,14-heptayne.
What is the SMILES notation for henicosa-2,4,6,8,10,12,14-heptayne?
The canonical SMILES for henicosa-2,4,6,8,10,12,14-heptayne is CC#CC#CC#CC#CC#CC#CC#CCCCCCC.
What is the InChIKey of henicosa-2,4,6,8,10,12,14-heptayne?
The InChIKey is GOHBJBBSWVOGLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16/c1-3-5-7-9-11-13-15-17-19-21-20-18-16-14-12-10-8-6-4-2/h3,5,7,9,11H2,1-2H3.
What are the key properties of henicosa-2,4,6,8,10,12,14-heptayne?
henicosa-2,4,6,8,10,12,14-heptayne has a molecular weight of 268.36 g/mol, XLogP of 3.00, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for henicosa-2,4,6,8,10,12,14-heptayne is sourced from PubChem (CID 176741061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).