(1Z,7Z,13Z)-1,2,7,8,13,14-hexaethynylcyclooctadeca-1,7,13-trien-3,5,9,11,15,17-hexayne

C30H6 — CID 15196662

IUPAC(1Z,7Z,13Z)-1,2,7,8,13,14-hexaethynylcyclooctadeca-1,7,13-trien-3,5,9,11,15,17-hexayne
SMILESC#Cc1c#cc#cc(C#C)c(C#C)c#cc#cc(C#C)c(C#C)c#cc#cc1C#C
InChIInChI=1S/C30H6/c1-7-25-19-13-14-21-27(9-3)29(11-5)23-17-18-24-30(12-6)28(10-4)22-16-15-20-26(25)8-2/h1-6H/b26-25-,29-27-,30-28-
InChIKeyRAMABTVJKXLRBT-HKRGUZEBSA-N
MW366.38 g/mol
LogP2.55
Rot. Bonds

About (1Z,7Z,13Z)-1,2,7,8,13,14-hexaethynylcyclooctadeca-1,7,13-trien-3,5,9,11,15,17-hexayne

(1Z,7Z,13Z)-1,2,7,8,13,14-hexaethynylcyclooctadeca-1,7,13-trien-3,5,9,11,15,17-hexayne (PubChem CID 15196662) has the molecular formula C30H6 and a molecular weight of 366.38 g/mol. Its IUPAC name is (1Z,7Z,13Z)-1,2,7,8,13,14-hexaethynylcyclooctadeca-1,7,13-trien-3,5,9,11,15,17-hexayne.

Molecular Properties

Compound Name(1Z,7Z,13Z)-1,2,7,8,13,14-hexaethynylcyclooctadeca-1,7,13-trien-3,5,9,11,15,17-hexayne
PubChem CID15196662
Molecular FormulaC30H6
Molecular Weight366.38 g/mol
Exact Mass366.05
IUPAC Name(1Z,7Z,13Z)-1,2,7,8,13,14-hexaethynylcyclooctadeca-1,7,13-trien-3,5,9,11,15,17-hexayne
SMILESC#Cc1c#cc#cc(C#C)c(C#C)c#cc#cc(C#C)c(C#C)c#cc#cc1C#C
InChIInChI=1S/C30H6/c1-7-25-19-13-14-21-27(9-3)29(11-5)23-17-18-24-30(12-6)28(10-4)22-16-15-20-26(25)8-2/h1-6H/b26-25-,29-27-,30-28-
InChIKeyRAMABTVJKXLRBT-HKRGUZEBSA-N
XLogP2.55
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 ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (1Z,7Z,13Z)-1,2,7,8,13,14-hexaethynylcyclooctadeca-1,7,13-trien-3,5,9,11,15,17-hexayne with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1Z,7Z,13Z)-1,2,7,8,13,14-hexaethynylcyclooctadeca-1,7,13-trien-3,5,9,11,15,17-hexayne?
The IUPAC name of (1Z,7Z,13Z)-1,2,7,8,13,14-hexaethynylcyclooctadeca-1,7,13-trien-3,5,9,11,15,17-hexayne (CID 15196662) is (1Z,7Z,13Z)-1,2,7,8,13,14-hexaethynylcyclooctadeca-1,7,13-trien-3,5,9,11,15,17-hexayne.
What is the SMILES notation for (1Z,7Z,13Z)-1,2,7,8,13,14-hexaethynylcyclooctadeca-1,7,13-trien-3,5,9,11,15,17-hexayne?
The canonical SMILES for (1Z,7Z,13Z)-1,2,7,8,13,14-hexaethynylcyclooctadeca-1,7,13-trien-3,5,9,11,15,17-hexayne is C#Cc1c#cc#cc(C#C)c(C#C)c#cc#cc(C#C)c(C#C)c#cc#cc1C#C.
What is the InChIKey of (1Z,7Z,13Z)-1,2,7,8,13,14-hexaethynylcyclooctadeca-1,7,13-trien-3,5,9,11,15,17-hexayne?
The InChIKey is RAMABTVJKXLRBT-HKRGUZEBSA-N. The full InChI is InChI=1S/C30H6/c1-7-25-19-13-14-21-27(9-3)29(11-5)23-17-18-24-30(12-6)28(10-4)22-16-15-20-26(25)8-2/h1-6H/b26-25-,29-27-,30-28-.
What are the key properties of (1Z,7Z,13Z)-1,2,7,8,13,14-hexaethynylcyclooctadeca-1,7,13-trien-3,5,9,11,15,17-hexayne?
(1Z,7Z,13Z)-1,2,7,8,13,14-hexaethynylcyclooctadeca-1,7,13-trien-3,5,9,11,15,17-hexayne has a molecular weight of 366.38 g/mol, XLogP of 2.55, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,7Z,13Z)-1,2,7,8,13,14-hexaethynylcyclooctadeca-1,7,13-trien-3,5,9,11,15,17-hexayne is sourced from PubChem (CID 15196662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).