but-2-yne;ethane;propane

C20H52 — CID 143714416

IUPACbut-2-yne;ethane;propane
SMILESCC.CC.CC.CC.CC.CC#CC.CCC.CCC
InChIInChI=1S/C4H6.2C3H8.5C2H6/c1-3-4-2;2*1-3-2;5*1-2/h1-2H3;2*3H2,1-2H3;5*1-2H3
InChIKeyGPBUGXLLRDNTSM-UHFFFAOYSA-N
MW292.64 g/mol
LogP8.99
Rot. Bonds

About but-2-yne;ethane;propane

but-2-yne;ethane;propane (PubChem CID 143714416) has the molecular formula C20H52 and a molecular weight of 292.64 g/mol. Its IUPAC name is but-2-yne;ethane;propane.

Molecular Properties

Compound Namebut-2-yne;ethane;propane
PubChem CID143714416
Molecular FormulaC20H52
Molecular Weight292.64 g/mol
Exact Mass292.41
IUPAC Namebut-2-yne;ethane;propane
SMILESCC.CC.CC.CC.CC.CC#CC.CCC.CCC
InChIInChI=1S/C4H6.2C3H8.5C2H6/c1-3-4-2;2*1-3-2;5*1-2/h1-2H3;2*3H2,1-2H3;5*1-2H3
InChIKeyGPBUGXLLRDNTSM-UHFFFAOYSA-N
XLogP8.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.64
LogP ≤ 58.99
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 but-2-yne;ethane;propane?
The IUPAC name of but-2-yne;ethane;propane (CID 143714416) is but-2-yne;ethane;propane.
What is the SMILES notation for but-2-yne;ethane;propane?
The canonical SMILES for but-2-yne;ethane;propane is CC.CC.CC.CC.CC.CC#CC.CCC.CCC.
What is the InChIKey of but-2-yne;ethane;propane?
The InChIKey is GPBUGXLLRDNTSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6.2C3H8.5C2H6/c1-3-4-2;2*1-3-2;5*1-2/h1-2H3;2*3H2,1-2H3;5*1-2H3.
What are the key properties of but-2-yne;ethane;propane?
but-2-yne;ethane;propane has a molecular weight of 292.64 g/mol, XLogP of 8.99, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for but-2-yne;ethane;propane is sourced from PubChem (CID 143714416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).