acetylene;but-1-ene;ethene;2-methylbutane;4-methylpent-2-yne

C21H40 — CID 144526742

IUPACacetylene;but-1-ene;ethene;2-methylbutane;4-methylpent-2-yne
SMILESC#C.C=C.C=C.C=CCC.CC#CC(C)C.CCC(C)C
InChIInChI=1S/C6H10.C5H12.C4H8.2C2H4.C2H2/c1-4-5-6(2)3;1-4-5(2)3;1-3-4-2;3*1-2/h6H,1-3H3;5H,4H2,1-3H3;3H,1,4H2,2H3;2*1-2H2;1-2H
InChIKeyWGOPUIUISAFMFL-UHFFFAOYSA-N
MW292.55 g/mol
LogP7.15
Rot. Bonds2

About acetylene;but-1-ene;ethene;2-methylbutane;4-methylpent-2-yne

acetylene;but-1-ene;ethene;2-methylbutane;4-methylpent-2-yne (PubChem CID 144526742) has the molecular formula C21H40 and a molecular weight of 292.55 g/mol. Its IUPAC name is acetylene;but-1-ene;ethene;2-methylbutane;4-methylpent-2-yne.

Molecular Properties

Compound Nameacetylene;but-1-ene;ethene;2-methylbutane;4-methylpent-2-yne
PubChem CID144526742
Molecular FormulaC21H40
Molecular Weight292.55 g/mol
Exact Mass292.31
IUPAC Nameacetylene;but-1-ene;ethene;2-methylbutane;4-methylpent-2-yne
SMILESC#C.C=C.C=C.C=CCC.CC#CC(C)C.CCC(C)C
InChIInChI=1S/C6H10.C5H12.C4H8.2C2H4.C2H2/c1-4-5-6(2)3;1-4-5(2)3;1-3-4-2;3*1-2/h6H,1-3H3;5H,4H2,1-3H3;3H,1,4H2,2H3;2*1-2H2;1-2H
InChIKeyWGOPUIUISAFMFL-UHFFFAOYSA-N
XLogP7.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.55
LogP ≤ 57.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of acetylene;but-1-ene;ethene;2-methylbutane;4-methylpent-2-yne?
The IUPAC name of acetylene;but-1-ene;ethene;2-methylbutane;4-methylpent-2-yne (CID 144526742) is acetylene;but-1-ene;ethene;2-methylbutane;4-methylpent-2-yne.
What is the SMILES notation for acetylene;but-1-ene;ethene;2-methylbutane;4-methylpent-2-yne?
The canonical SMILES for acetylene;but-1-ene;ethene;2-methylbutane;4-methylpent-2-yne is C#C.C=C.C=C.C=CCC.CC#CC(C)C.CCC(C)C.
What is the InChIKey of acetylene;but-1-ene;ethene;2-methylbutane;4-methylpent-2-yne?
The InChIKey is WGOPUIUISAFMFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10.C5H12.C4H8.2C2H4.C2H2/c1-4-5-6(2)3;1-4-5(2)3;1-3-4-2;3*1-2/h6H,1-3H3;5H,4H2,1-3H3;3H,1,4H2,2H3;2*1-2H2;1-2H.
What are the key properties of acetylene;but-1-ene;ethene;2-methylbutane;4-methylpent-2-yne?
acetylene;but-1-ene;ethene;2-methylbutane;4-methylpent-2-yne has a molecular weight of 292.55 g/mol, XLogP of 7.15, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for acetylene;but-1-ene;ethene;2-methylbutane;4-methylpent-2-yne is sourced from PubChem (CID 144526742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).