hexaspiro[2.0.24.4.211.0.214.4.221.0.224.43]triaconta-7,9,17,19,27,29-hexayne

C30H24 — CID 134976949

IUPAChexaspiro[2.0.24.4.211.0.214.4.221.0.224.43]triaconta-7,9,17,19,27,29-hexayne
SMILESC1#CC2(CC2)C2(C#CC#CC3(CC3)C3(C#CC#CC4(CC4)C4(C#C1)CC4)CC3)CC2
InChIInChI=1S/C30H24/c1-2-8-26(15-16-26)28(19-20-28)10-5-6-12-30(23-24-30)29(21-22-29)11-4-3-9-27(17-18-27)25(7-1)13-14-25/h13-24H2
InChIKeyWYLKQJISAZLHBK-UHFFFAOYSA-N
MW384.52 g/mol
LogP4.70
Rot. Bonds

About hexaspiro[2.0.24.4.211.0.214.4.221.0.224.43]triaconta-7,9,17,19,27,29-hexayne

hexaspiro[2.0.24.4.211.0.214.4.221.0.224.43]triaconta-7,9,17,19,27,29-hexayne (PubChem CID 134976949) has the molecular formula C30H24 and a molecular weight of 384.52 g/mol. Its IUPAC name is hexaspiro[2.0.24.4.211.0.214.4.221.0.224.43]triaconta-7,9,17,19,27,29-hexayne.

Molecular Properties

Compound Namehexaspiro[2.0.24.4.211.0.214.4.221.0.224.43]triaconta-7,9,17,19,27,29-hexayne
PubChem CID134976949
Molecular FormulaC30H24
Molecular Weight384.52 g/mol
Exact Mass384.19
IUPAC Namehexaspiro[2.0.24.4.211.0.214.4.221.0.224.43]triaconta-7,9,17,19,27,29-hexayne
SMILESC1#CC2(CC2)C2(C#CC#CC3(CC3)C3(C#CC#CC4(CC4)C4(C#C1)CC4)CC3)CC2
InChIInChI=1S/C30H24/c1-2-8-26(15-16-26)28(19-20-28)10-5-6-12-30(23-24-30)29(21-22-29)11-4-3-9-27(17-18-27)25(7-1)13-14-25/h13-24H2
InChIKeyWYLKQJISAZLHBK-UHFFFAOYSA-N
XLogP4.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.52
LogP ≤ 54.70
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 hexaspiro[2.0.24.4.211.0.214.4.221.0.224.43]triaconta-7,9,17,19,27,29-hexayne?
The IUPAC name of hexaspiro[2.0.24.4.211.0.214.4.221.0.224.43]triaconta-7,9,17,19,27,29-hexayne (CID 134976949) is hexaspiro[2.0.24.4.211.0.214.4.221.0.224.43]triaconta-7,9,17,19,27,29-hexayne.
What is the SMILES notation for hexaspiro[2.0.24.4.211.0.214.4.221.0.224.43]triaconta-7,9,17,19,27,29-hexayne?
The canonical SMILES for hexaspiro[2.0.24.4.211.0.214.4.221.0.224.43]triaconta-7,9,17,19,27,29-hexayne is C1#CC2(CC2)C2(C#CC#CC3(CC3)C3(C#CC#CC4(CC4)C4(C#C1)CC4)CC3)CC2.
What is the InChIKey of hexaspiro[2.0.24.4.211.0.214.4.221.0.224.43]triaconta-7,9,17,19,27,29-hexayne?
The InChIKey is WYLKQJISAZLHBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24/c1-2-8-26(15-16-26)28(19-20-28)10-5-6-12-30(23-24-30)29(21-22-29)11-4-3-9-27(17-18-27)25(7-1)13-14-25/h13-24H2.
What are the key properties of hexaspiro[2.0.24.4.211.0.214.4.221.0.224.43]triaconta-7,9,17,19,27,29-hexayne?
hexaspiro[2.0.24.4.211.0.214.4.221.0.224.43]triaconta-7,9,17,19,27,29-hexayne has a molecular weight of 384.52 g/mol, XLogP of 4.70, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for hexaspiro[2.0.24.4.211.0.214.4.221.0.224.43]triaconta-7,9,17,19,27,29-hexayne is sourced from PubChem (CID 134976949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).