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

C16H6 — CID 11434885

IUPAChexadeca-2,4,6,8,10,12,14-heptayne
SMILESCC#CC#CC#CC#CC#CC#CC#CC
InChIInChI=1S/C16H6/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h1-2H3
InChIKeyBOSKUUFPZHYCFD-UHFFFAOYSA-N
MW198.22 g/mol
LogP1.05
Rot. Bonds

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

hexadeca-2,4,6,8,10,12,14-heptayne (PubChem CID 11434885) has the molecular formula C16H6 and a molecular weight of 198.22 g/mol. Its IUPAC name is hexadeca-2,4,6,8,10,12,14-heptayne.

Molecular Properties

Compound Namehexadeca-2,4,6,8,10,12,14-heptayne
PubChem CID11434885
Molecular FormulaC16H6
Molecular Weight198.22 g/mol
Exact Mass198.05
IUPAC Namehexadeca-2,4,6,8,10,12,14-heptayne
SMILESCC#CC#CC#CC#CC#CC#CC#CC
InChIInChI=1S/C16H6/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h1-2H3
InChIKeyBOSKUUFPZHYCFD-UHFFFAOYSA-N
XLogP1.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 51.05
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 hexadeca-2,4,6,8,10,12,14-heptayne?
The IUPAC name of hexadeca-2,4,6,8,10,12,14-heptayne (CID 11434885) is hexadeca-2,4,6,8,10,12,14-heptayne.
What is the SMILES notation for hexadeca-2,4,6,8,10,12,14-heptayne?
The canonical SMILES for hexadeca-2,4,6,8,10,12,14-heptayne is CC#CC#CC#CC#CC#CC#CC#CC.
What is the InChIKey of hexadeca-2,4,6,8,10,12,14-heptayne?
The InChIKey is BOSKUUFPZHYCFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H6/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h1-2H3.
What are the key properties of hexadeca-2,4,6,8,10,12,14-heptayne?
hexadeca-2,4,6,8,10,12,14-heptayne has a molecular weight of 198.22 g/mol, XLogP of 1.05, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for hexadeca-2,4,6,8,10,12,14-heptayne is sourced from PubChem (CID 11434885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).