1,4,7,10,13,16-hexaethynylcyclooctadeca-1,2,3,7,8,9,13,14,15-nonaen-5,11,17-triyne

C30H6 — CID 102086364

IUPAC1,4,7,10,13,16-hexaethynylcyclooctadeca-1,2,3,7,8,9,13,14,15-nonaen-5,11,17-triyne
SMILESC#CC1=C=C=C(C#C)C#CC(C#C)=C=C=C(C#C)C#CC(C#C)=C=C=C(C#C)C#C1
InChIInChI=1S/C30H6/c1-7-25-13-15-26(8-2)17-19-28(10-4)21-23-30(12-6)24-22-29(11-5)20-18-27(9-3)16-14-25/h1-6H
InChIKeyFBNAIVPOEKDYAK-UHFFFAOYSA-N
MW366.38 g/mol
LogP2.63
Rot. Bonds

About 1,4,7,10,13,16-hexaethynylcyclooctadeca-1,2,3,7,8,9,13,14,15-nonaen-5,11,17-triyne

1,4,7,10,13,16-hexaethynylcyclooctadeca-1,2,3,7,8,9,13,14,15-nonaen-5,11,17-triyne (PubChem CID 102086364) has the molecular formula C30H6 and a molecular weight of 366.38 g/mol. Its IUPAC name is 1,4,7,10,13,16-hexaethynylcyclooctadeca-1,2,3,7,8,9,13,14,15-nonaen-5,11,17-triyne.

Molecular Properties

Compound Name1,4,7,10,13,16-hexaethynylcyclooctadeca-1,2,3,7,8,9,13,14,15-nonaen-5,11,17-triyne
PubChem CID102086364
Molecular FormulaC30H6
Molecular Weight366.38 g/mol
Exact Mass366.05
IUPAC Name1,4,7,10,13,16-hexaethynylcyclooctadeca-1,2,3,7,8,9,13,14,15-nonaen-5,11,17-triyne
SMILESC#CC1=C=C=C(C#C)C#CC(C#C)=C=C=C(C#C)C#CC(C#C)=C=C=C(C#C)C#C1
InChIInChI=1S/C30H6/c1-7-25-13-15-26(8-2)17-19-28(10-4)21-23-30(12-6)24-22-29(11-5)20-18-27(9-3)16-14-25/h1-6H
InChIKeyFBNAIVPOEKDYAK-UHFFFAOYSA-N
XLogP2.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.38
LogP ≤ 52.63
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 1,4,7,10,13,16-hexaethynylcyclooctadeca-1,2,3,7,8,9,13,14,15-nonaen-5,11,17-triyne?
The IUPAC name of 1,4,7,10,13,16-hexaethynylcyclooctadeca-1,2,3,7,8,9,13,14,15-nonaen-5,11,17-triyne (CID 102086364) is 1,4,7,10,13,16-hexaethynylcyclooctadeca-1,2,3,7,8,9,13,14,15-nonaen-5,11,17-triyne.
What is the SMILES notation for 1,4,7,10,13,16-hexaethynylcyclooctadeca-1,2,3,7,8,9,13,14,15-nonaen-5,11,17-triyne?
The canonical SMILES for 1,4,7,10,13,16-hexaethynylcyclooctadeca-1,2,3,7,8,9,13,14,15-nonaen-5,11,17-triyne is C#CC1=C=C=C(C#C)C#CC(C#C)=C=C=C(C#C)C#CC(C#C)=C=C=C(C#C)C#C1.
What is the InChIKey of 1,4,7,10,13,16-hexaethynylcyclooctadeca-1,2,3,7,8,9,13,14,15-nonaen-5,11,17-triyne?
The InChIKey is FBNAIVPOEKDYAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H6/c1-7-25-13-15-26(8-2)17-19-28(10-4)21-23-30(12-6)24-22-29(11-5)20-18-27(9-3)16-14-25/h1-6H.
What are the key properties of 1,4,7,10,13,16-hexaethynylcyclooctadeca-1,2,3,7,8,9,13,14,15-nonaen-5,11,17-triyne?
1,4,7,10,13,16-hexaethynylcyclooctadeca-1,2,3,7,8,9,13,14,15-nonaen-5,11,17-triyne has a molecular weight of 366.38 g/mol, XLogP of 2.63, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,7,10,13,16-hexaethynylcyclooctadeca-1,2,3,7,8,9,13,14,15-nonaen-5,11,17-triyne is sourced from PubChem (CID 102086364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).