hept-1-yne;nonadeca-6,8-diyne

C26H44 — CID 91221383

IUPAChept-1-yne;nonadeca-6,8-diyne
SMILESC#CCCCCC.CCCCCC#CC#CCCCCCCCCCC
InChIInChI=1S/C19H32.C7H12/c1-3-5-7-9-11-13-15-17-19-18-16-14-12-10-8-6-4-2;1-3-5-7-6-4-2/h3-11,13,15,17,19H2,1-2H3;1H,4-7H2,2H3
InChIKeySBYUTNJERURXEU-UHFFFAOYSA-N
MW356.64 g/mol
LogP8.30
Rot. Bonds14

About hept-1-yne;nonadeca-6,8-diyne

hept-1-yne;nonadeca-6,8-diyne (PubChem CID 91221383) has the molecular formula C26H44 and a molecular weight of 356.64 g/mol. Its IUPAC name is hept-1-yne;nonadeca-6,8-diyne.

Molecular Properties

Compound Namehept-1-yne;nonadeca-6,8-diyne
PubChem CID91221383
Molecular FormulaC26H44
Molecular Weight356.64 g/mol
Exact Mass356.34
IUPAC Namehept-1-yne;nonadeca-6,8-diyne
SMILESC#CCCCCC.CCCCCC#CC#CCCCCCCCCCC
InChIInChI=1S/C19H32.C7H12/c1-3-5-7-9-11-13-15-17-19-18-16-14-12-10-8-6-4-2;1-3-5-7-6-4-2/h3-11,13,15,17,19H2,1-2H3;1H,4-7H2,2H3
InChIKeySBYUTNJERURXEU-UHFFFAOYSA-N
XLogP8.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds14
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.64
LogP ≤ 58.30
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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Related Compounds

oct-1-yne
CID 19597608
tetraconta-15,17,19,21,23,25-hexayne
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dodec-2-yn-1-ol;undec-1-yne
CID 159187023
trimethyl(tetracosa-5,7-diynyl)azanium
CID 101024273
henicosa-2,4,6,8,10,12,14-heptayne
CID 176741061
dodeca-2,4-diyn-1-ol
CID 11816199
henicos-8-yne
CID 22224321
11-hexoxyundec-1-yne
CID 89349998
nonadeca-1,4,6-triyn-3-ol
CID 138979996
undeca-3,5-diyn-1-ol
CID 15306342
1-iodonona-1,3-diyne
CID 11806932

Frequently Asked Questions

What is the IUPAC name of hept-1-yne;nonadeca-6,8-diyne?
The IUPAC name of hept-1-yne;nonadeca-6,8-diyne (CID 91221383) is hept-1-yne;nonadeca-6,8-diyne.
What is the SMILES notation for hept-1-yne;nonadeca-6,8-diyne?
The canonical SMILES for hept-1-yne;nonadeca-6,8-diyne is C#CCCCCC.CCCCCC#CC#CCCCCCCCCCC.
What is the InChIKey of hept-1-yne;nonadeca-6,8-diyne?
The InChIKey is SBYUTNJERURXEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32.C7H12/c1-3-5-7-9-11-13-15-17-19-18-16-14-12-10-8-6-4-2;1-3-5-7-6-4-2/h3-11,13,15,17,19H2,1-2H3;1H,4-7H2,2H3.
What are the key properties of hept-1-yne;nonadeca-6,8-diyne?
hept-1-yne;nonadeca-6,8-diyne has a molecular weight of 356.64 g/mol, XLogP of 8.30, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for hept-1-yne;nonadeca-6,8-diyne is sourced from PubChem (CID 91221383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).