but-2-yne;ethane

C6H12 — CID 91232617

IUPACbut-2-yne;ethane
SMILESCC.CC#CC
InChIInChI=1S/C4H6.C2H6/c1-3-4-2;1-2/h1-2H3;1-2H3
InChIKeyFPCXCLNHUSJWAM-UHFFFAOYSA-N
MW84.16 g/mol
LogP2.06
Rot. Bonds

About but-2-yne;ethane

but-2-yne;ethane (PubChem CID 91232617) has the molecular formula C6H12 and a molecular weight of 84.16 g/mol. Its IUPAC name is but-2-yne;ethane.

Molecular Properties

Compound Namebut-2-yne;ethane
PubChem CID91232617
Molecular FormulaC6H12
Molecular Weight84.16 g/mol
Exact Mass84.09
IUPAC Namebut-2-yne;ethane
SMILESCC.CC#CC
InChIInChI=1S/C4H6.C2H6/c1-3-4-2;1-2/h1-2H3;1-2H3
InChIKeyFPCXCLNHUSJWAM-UHFFFAOYSA-N
XLogP2.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50084.16
LogP ≤ 52.06
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 91232617) 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.
What is the InChIKey of but-2-yne;ethane?
The InChIKey is FPCXCLNHUSJWAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6.C2H6/c1-3-4-2;1-2/h1-2H3;1-2H3.
What are the key properties of but-2-yne;ethane?
but-2-yne;ethane has a molecular weight of 84.16 g/mol, XLogP of 2.06, 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 91232617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).