but-2-yne;ethane

C14H36 — CID 144521092

IUPACbut-2-yne;ethane
SMILESCC.CC.CC.CC.CC.CC#CC
InChIInChI=1S/C4H6.5C2H6/c1-3-4-2;5*1-2/h1-2H3;5*1-2H3
InChIKeyDYEXXCKZJGFANC-UHFFFAOYSA-N
MW204.44 g/mol
LogP6.16
Rot. Bonds

About but-2-yne;ethane

but-2-yne;ethane (PubChem CID 144521092) has the molecular formula C14H36 and a molecular weight of 204.44 g/mol. Its IUPAC name is but-2-yne;ethane.

Molecular Properties

Compound Namebut-2-yne;ethane
PubChem CID144521092
Molecular FormulaC14H36
Molecular Weight204.44 g/mol
Exact Mass204.28
IUPAC Namebut-2-yne;ethane
SMILESCC.CC.CC.CC.CC.CC#CC
InChIInChI=1S/C4H6.5C2H6/c1-3-4-2;5*1-2/h1-2H3;5*1-2H3
InChIKeyDYEXXCKZJGFANC-UHFFFAOYSA-N
XLogP6.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500204.44
LogP ≤ 56.16
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?
The IUPAC name of but-2-yne;ethane (CID 144521092) is but-2-yne;ethane.
What is the SMILES notation for but-2-yne;ethane?
The canonical SMILES for but-2-yne;ethane is CC.CC.CC.CC.CC.CC#CC.
What is the InChIKey of but-2-yne;ethane?
The InChIKey is DYEXXCKZJGFANC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6.5C2H6/c1-3-4-2;5*1-2/h1-2H3;5*1-2H3.
What are the key properties of but-2-yne;ethane?
but-2-yne;ethane has a molecular weight of 204.44 g/mol, XLogP of 6.16, 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 is sourced from PubChem (CID 144521092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).