acetylene;prop-1-yne

C19H20 — CID 18962725

IUPACacetylene;prop-1-yne
SMILESC#C.C#C.C#C.C#C.C#C.C#C.C#C.C#C.C#CC
InChIInChI=1S/C3H4.8C2H2/c1-3-2;8*1-2/h1H,2H3;8*1-2H
InChIKeyTXFNEHLGLADYPH-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.63
Rot. Bonds

About acetylene;prop-1-yne

acetylene;prop-1-yne (PubChem CID 18962725) has the molecular formula C19H20 and a molecular weight of 248.37 g/mol. Its IUPAC name is acetylene;prop-1-yne.

Molecular Properties

Compound Nameacetylene;prop-1-yne
PubChem CID18962725
Molecular FormulaC19H20
Molecular Weight248.37 g/mol
Exact Mass248.16
IUPAC Nameacetylene;prop-1-yne
SMILESC#C.C#C.C#C.C#C.C#C.C#C.C#C.C#C.C#CC
InChIInChI=1S/C3H4.8C2H2/c1-3-2;8*1-2/h1H,2H3;8*1-2H
InChIKeyTXFNEHLGLADYPH-UHFFFAOYSA-N
XLogP2.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
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 acetylene;prop-1-yne?
The IUPAC name of acetylene;prop-1-yne (CID 18962725) is acetylene;prop-1-yne.
What is the SMILES notation for acetylene;prop-1-yne?
The canonical SMILES for acetylene;prop-1-yne is C#C.C#C.C#C.C#C.C#C.C#C.C#C.C#C.C#CC.
What is the InChIKey of acetylene;prop-1-yne?
The InChIKey is TXFNEHLGLADYPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4.8C2H2/c1-3-2;8*1-2/h1H,2H3;8*1-2H.
What are the key properties of acetylene;prop-1-yne?
acetylene;prop-1-yne has a molecular weight of 248.37 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 acetylene;prop-1-yne is sourced from PubChem (CID 18962725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).