14-methylhexadeca-2,4,6,8,10,12-hexayne

C17H12 — CID 58163483

IUPAC14-methylhexadeca-2,4,6,8,10,12-hexayne
SMILESCC#CC#CC#CC#CC#CC#CC(C)CC
InChIInChI=1S/C17H12/c1-4-6-7-8-9-10-11-12-13-14-15-16-17(3)5-2/h17H,5H2,1-3H3
InChIKeyMSTADDSBDQEJMW-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.07
Rot. Bonds1

About 14-methylhexadeca-2,4,6,8,10,12-hexayne

14-methylhexadeca-2,4,6,8,10,12-hexayne (PubChem CID 58163483) has the molecular formula C17H12 and a molecular weight of 216.28 g/mol. Its IUPAC name is 14-methylhexadeca-2,4,6,8,10,12-hexayne.

Molecular Properties

Compound Name14-methylhexadeca-2,4,6,8,10,12-hexayne
PubChem CID58163483
Molecular FormulaC17H12
Molecular Weight216.28 g/mol
Exact Mass216.09
IUPAC Name14-methylhexadeca-2,4,6,8,10,12-hexayne
SMILESCC#CC#CC#CC#CC#CC#CC(C)CC
InChIInChI=1S/C17H12/c1-4-6-7-8-9-10-11-12-13-14-15-16-17(3)5-2/h17H,5H2,1-3H3
InChIKeyMSTADDSBDQEJMW-UHFFFAOYSA-N
XLogP2.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
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 14-methylhexadeca-2,4,6,8,10,12-hexayne?
The IUPAC name of 14-methylhexadeca-2,4,6,8,10,12-hexayne (CID 58163483) is 14-methylhexadeca-2,4,6,8,10,12-hexayne.
What is the SMILES notation for 14-methylhexadeca-2,4,6,8,10,12-hexayne?
The canonical SMILES for 14-methylhexadeca-2,4,6,8,10,12-hexayne is CC#CC#CC#CC#CC#CC#CC(C)CC.
What is the InChIKey of 14-methylhexadeca-2,4,6,8,10,12-hexayne?
The InChIKey is MSTADDSBDQEJMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12/c1-4-6-7-8-9-10-11-12-13-14-15-16-17(3)5-2/h17H,5H2,1-3H3.
What are the key properties of 14-methylhexadeca-2,4,6,8,10,12-hexayne?
14-methylhexadeca-2,4,6,8,10,12-hexayne has a molecular weight of 216.28 g/mol, XLogP of 2.07, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 14-methylhexadeca-2,4,6,8,10,12-hexayne is sourced from PubChem (CID 58163483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).