acetylene;but-2-yne;deca-1,3,5,7,9-pentayne;hepta-1,3,5-triyne;hexa-1,3,5-triyne;methane;nona-1,3,5,7-tetrayne;octa-2,4,6-triyne;penta-1,3-diyne;prop-1-yne

C55H38 — CID 157224213

About acetylene;but-2-yne;deca-1,3,5,7,9-pentayne;hepta-1,3,5-triyne;hexa-1,3,5-triyne;methane;nona-1,3,5,7-tetrayne;octa-2,4,6-triyne;penta-1,3-diyne;prop-1-yne

acetylene;but-2-yne;deca-1,3,5,7,9-pentayne;hepta-1,3,5-triyne;hexa-1,3,5-triyne;methane;nona-1,3,5,7-tetrayne;octa-2,4,6-triyne;penta-1,3-diyne;prop-1-yne (PubChem CID 157224213) has the molecular formula C55H38 and a molecular weight of 698.91 g/mol. Its IUPAC name is acetylene;but-2-yne;deca-1,3,5,7,9-pentayne;hepta-1,3,5-triyne;hexa-1,3,5-triyne;methane;nona-1,3,5,7-tetrayne;octa-2,4,6-triyne;penta-1,3-diyne;prop-1-yne.

Molecular Properties

• Compound Name: acetylene;but-2-yne;deca-1,3,5,7,9-pentayne;hepta-1,3,5-triyne;hexa-1,3,5-triyne;methane;nona-1,3,5,7-tetrayne;octa-2,4,6-triyne;penta-1,3-diyne;prop-1-yne
• PubChem CID: 157224213
• Molecular Formula: C55H38
• Molecular Weight: 698.91 g/mol
• Exact Mass: 698.30
• IUPAC Name: acetylene;but-2-yne;deca-1,3,5,7,9-pentayne;hepta-1,3,5-triyne;hexa-1,3,5-triyne;methane;nona-1,3,5,7-tetrayne;octa-2,4,6-triyne;penta-1,3-diyne;prop-1-yne
• SMILES: C.C#C.C#CC.C#CC#CC.C#CC#CC#C.C#CC#CC#CC.C#CC#CC#CC#CC.C#CC#CC#CC#CC#C.CC#CC.CC#CC#CC#CC
• InChI: InChI=1S/C10H2.C9H4.C8H6.C7H4.C6H2.C5H4.C4H6.C3H4.C2H2.CH4/c1-3-5-7-9-10-8-6-4-2;1-3-5-7-9-8-6-4-2;1-3-5-7-8-6-4-2;1-3-5-7-6-4-2;1-3-5-6-4-2;1-3-5-4-2;1-3-4-2;1-3-2;1-2;/h1-2H;1H,2H3;1-2H3;1H,2H3;1-2H;1H,2H3;1-2H3;1H,2H3;1-2H;1H4
• InChIKey: ATIUQPGFRIHHKF-UHFFFAOYSA-N
• XLogP: 6.05
• TPSA: 0.00 Ų
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	698.91
LogP ≤ 5	6.05
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of acetylene;but-2-yne;deca-1,3,5,7,9-pentayne;hepta-1,3,5-triyne;hexa-1,3,5-triyne;methane;nona-1,3,5,7-tetrayne;octa-2,4,6-triyne;penta-1,3-diyne;prop-1-yne?

The IUPAC name of acetylene;but-2-yne;deca-1,3,5,7,9-pentayne;hepta-1,3,5-triyne;hexa-1,3,5-triyne;methane;nona-1,3,5,7-tetrayne;octa-2,4,6-triyne;penta-1,3-diyne;prop-1-yne (CID 157224213) is acetylene;but-2-yne;deca-1,3,5,7,9-pentayne;hepta-1,3,5-triyne;hexa-1,3,5-triyne;methane;nona-1,3,5,7-tetrayne;octa-2,4,6-triyne;penta-1,3-diyne;prop-1-yne.

What is the SMILES notation for acetylene;but-2-yne;deca-1,3,5,7,9-pentayne;hepta-1,3,5-triyne;hexa-1,3,5-triyne;methane;nona-1,3,5,7-tetrayne;octa-2,4,6-triyne;penta-1,3-diyne;prop-1-yne?

The canonical SMILES for acetylene;but-2-yne;deca-1,3,5,7,9-pentayne;hepta-1,3,5-triyne;hexa-1,3,5-triyne;methane;nona-1,3,5,7-tetrayne;octa-2,4,6-triyne;penta-1,3-diyne;prop-1-yne is C.C#C.C#CC.C#CC#CC.C#CC#CC#C.C#CC#CC#CC.C#CC#CC#CC#CC.C#CC#CC#CC#CC#C.CC#CC.CC#CC#CC#CC.

What is the InChIKey of acetylene;but-2-yne;deca-1,3,5,7,9-pentayne;hepta-1,3,5-triyne;hexa-1,3,5-triyne;methane;nona-1,3,5,7-tetrayne;octa-2,4,6-triyne;penta-1,3-diyne;prop-1-yne?

The InChIKey is ATIUQPGFRIHHKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H2.C9H4.C8H6.C7H4.C6H2.C5H4.C4H6.C3H4.C2H2.CH4/c1-3-5-7-9-10-8-6-4-2;1-3-5-7-9-8-6-4-2;1-3-5-7-8-6-4-2;1-3-5-7-6-4-2;1-3-5-6-4-2;1-3-5-4-2;1-3-4-2;1-3-2;1-2;/h1-2H;1H,2H3;1-2H3;1H,2H3;1-2H;1H,2H3;1-2H3;1H,2H3;1-2H;1H4.

What are the key properties of acetylene;but-2-yne;deca-1,3,5,7,9-pentayne;hepta-1,3,5-triyne;hexa-1,3,5-triyne;methane;nona-1,3,5,7-tetrayne;octa-2,4,6-triyne;penta-1,3-diyne;prop-1-yne?

acetylene;but-2-yne;deca-1,3,5,7,9-pentayne;hepta-1,3,5-triyne;hexa-1,3,5-triyne;methane;nona-1,3,5,7-tetrayne;octa-2,4,6-triyne;penta-1,3-diyne;prop-1-yne has a molecular weight of 698.91 g/mol, XLogP of 6.05, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for acetylene;but-2-yne;deca-1,3,5,7,9-pentayne;hepta-1,3,5-triyne;hexa-1,3,5-triyne;methane;nona-1,3,5,7-tetrayne;octa-2,4,6-triyne;penta-1,3-diyne;prop-1-yne is sourced from PubChem (CID 157224213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).