acetylene;but-2-yne;ethane;prop-1-yne

C19H42 — CID 144527345

IUPACacetylene;but-2-yne;ethane;prop-1-yne
SMILESC#C.C#CC.CC.CC.CC.CC.CC.CC#CC
InChIInChI=1S/C4H6.C3H4.5C2H6.C2H2/c1-3-4-2;1-3-2;6*1-2/h1-2H3;1H,2H3;5*1-2H3;1-2H
InChIKeyWCIJBVADSDGNRN-UHFFFAOYSA-N
MW270.54 g/mol
LogP7.05
Rot. Bonds

About acetylene;but-2-yne;ethane;prop-1-yne

acetylene;but-2-yne;ethane;prop-1-yne (PubChem CID 144527345) has the molecular formula C19H42 and a molecular weight of 270.54 g/mol. Its IUPAC name is acetylene;but-2-yne;ethane;prop-1-yne.

Molecular Properties

Compound Nameacetylene;but-2-yne;ethane;prop-1-yne
PubChem CID144527345
Molecular FormulaC19H42
Molecular Weight270.54 g/mol
Exact Mass270.33
IUPAC Nameacetylene;but-2-yne;ethane;prop-1-yne
SMILESC#C.C#CC.CC.CC.CC.CC.CC.CC#CC
InChIInChI=1S/C4H6.C3H4.5C2H6.C2H2/c1-3-4-2;1-3-2;6*1-2/h1-2H3;1H,2H3;5*1-2H3;1-2H
InChIKeyWCIJBVADSDGNRN-UHFFFAOYSA-N
XLogP7.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.54
LogP ≤ 57.05
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;but-2-yne;ethane;prop-1-yne?
The IUPAC name of acetylene;but-2-yne;ethane;prop-1-yne (CID 144527345) is acetylene;but-2-yne;ethane;prop-1-yne.
What is the SMILES notation for acetylene;but-2-yne;ethane;prop-1-yne?
The canonical SMILES for acetylene;but-2-yne;ethane;prop-1-yne is C#C.C#CC.CC.CC.CC.CC.CC.CC#CC.
What is the InChIKey of acetylene;but-2-yne;ethane;prop-1-yne?
The InChIKey is WCIJBVADSDGNRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6.C3H4.5C2H6.C2H2/c1-3-4-2;1-3-2;6*1-2/h1-2H3;1H,2H3;5*1-2H3;1-2H.
What are the key properties of acetylene;but-2-yne;ethane;prop-1-yne?
acetylene;but-2-yne;ethane;prop-1-yne has a molecular weight of 270.54 g/mol, XLogP of 7.05, 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;ethane;prop-1-yne is sourced from PubChem (CID 144527345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).