tetraspiro[2.0.24.4.211.0.214.43]icosa-7,9,17,19-tetrayne

C20H16 — CID 134977092

IUPACtetraspiro[2.0.24.4.211.0.214.43]icosa-7,9,17,19-tetrayne
SMILESC1#CC2(CC2)C2(C#CC#CC3(CC3)C3(C#C1)CC3)CC2
InChIInChI=1S/C20H16/c1-2-6-18(11-12-18)20(15-16-20)8-4-3-7-19(13-14-19)17(5-1)9-10-17/h9-16H2
InChIKeyGNWPDGRGQHXDIM-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.13
Rot. Bonds

About tetraspiro[2.0.24.4.211.0.214.43]icosa-7,9,17,19-tetrayne

tetraspiro[2.0.24.4.211.0.214.43]icosa-7,9,17,19-tetrayne (PubChem CID 134977092) has the molecular formula C20H16 and a molecular weight of 256.35 g/mol. Its IUPAC name is tetraspiro[2.0.24.4.211.0.214.43]icosa-7,9,17,19-tetrayne.

Molecular Properties

Compound Nametetraspiro[2.0.24.4.211.0.214.43]icosa-7,9,17,19-tetrayne
PubChem CID134977092
Molecular FormulaC20H16
Molecular Weight256.35 g/mol
Exact Mass256.13
IUPAC Nametetraspiro[2.0.24.4.211.0.214.43]icosa-7,9,17,19-tetrayne
SMILESC1#CC2(CC2)C2(C#CC#CC3(CC3)C3(C#C1)CC3)CC2
InChIInChI=1S/C20H16/c1-2-6-18(11-12-18)20(15-16-20)8-4-3-7-19(13-14-19)17(5-1)9-10-17/h9-16H2
InChIKeyGNWPDGRGQHXDIM-UHFFFAOYSA-N
XLogP3.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.13
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 tetraspiro[2.0.24.4.211.0.214.43]icosa-7,9,17,19-tetrayne?
The IUPAC name of tetraspiro[2.0.24.4.211.0.214.43]icosa-7,9,17,19-tetrayne (CID 134977092) is tetraspiro[2.0.24.4.211.0.214.43]icosa-7,9,17,19-tetrayne.
What is the SMILES notation for tetraspiro[2.0.24.4.211.0.214.43]icosa-7,9,17,19-tetrayne?
The canonical SMILES for tetraspiro[2.0.24.4.211.0.214.43]icosa-7,9,17,19-tetrayne is C1#CC2(CC2)C2(C#CC#CC3(CC3)C3(C#C1)CC3)CC2.
What is the InChIKey of tetraspiro[2.0.24.4.211.0.214.43]icosa-7,9,17,19-tetrayne?
The InChIKey is GNWPDGRGQHXDIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16/c1-2-6-18(11-12-18)20(15-16-20)8-4-3-7-19(13-14-19)17(5-1)9-10-17/h9-16H2.
What are the key properties of tetraspiro[2.0.24.4.211.0.214.43]icosa-7,9,17,19-tetrayne?
tetraspiro[2.0.24.4.211.0.214.43]icosa-7,9,17,19-tetrayne has a molecular weight of 256.35 g/mol, XLogP of 3.13, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tetraspiro[2.0.24.4.211.0.214.43]icosa-7,9,17,19-tetrayne is sourced from PubChem (CID 134977092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).