but-2-yne

C4H6 — CID 10419

IUPACbut-2-yne
SMILESCC#CC
InChIInChI=1S/C4H6/c1-3-4-2/h1-2H3
InChIKeyXNMQEEKYCVKGBD-UHFFFAOYSA-N
MW54.09 g/mol
LogP1.03
Rot. Bonds

About but-2-yne

but-2-yne (PubChem CID 10419) has the molecular formula C4H6 and a molecular weight of 54.09 g/mol. Its IUPAC name is but-2-yne.

Molecular Properties

Compound Namebut-2-yne
PubChem CID10419
Molecular FormulaC4H6
Molecular Weight54.09 g/mol
Exact Mass54.05
IUPAC Namebut-2-yne
SMILESCC#CC
InChIInChI=1S/C4H6/c1-3-4-2/h1-2H3
InChIKeyXNMQEEKYCVKGBD-UHFFFAOYSA-N
XLogP1.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50054.09
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2,4-Hexadiyne
CID 137727
2,4,6-Octatriyne
CID 136832
1,3-Pentadiyne
CID 138385
Mercury, bis(propyn-1-yl)-
CID 144071
1,3,5-Heptatriyne
CID 21027022
Hexa-2,4-diyne-d6
CID 144032
1,1'-Tellurobis(prop-1-yne)
CID 643200
Lithium buta-2,3-dien-2-ide
CID 10920439
Deca-2,4,6,8-tetrayne
CID 11788226
2-Butynyl
CID 144982
Hydrochloric acid, compd. with 2-butyne (2:1)
CID 57397095
Hexadeuterio-2-butyne
CID 129777507

Frequently Asked Questions

What is the IUPAC name of but-2-yne?
The IUPAC name of but-2-yne (CID 10419) is but-2-yne.
What is the SMILES notation for but-2-yne?
The canonical SMILES for but-2-yne is CC#CC.
What is the InChIKey of but-2-yne?
The InChIKey is XNMQEEKYCVKGBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6/c1-3-4-2/h1-2H3.
What are the key properties of but-2-yne?
but-2-yne has a molecular weight of 54.09 g/mol, XLogP of 1.03, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for but-2-yne is sourced from PubChem (CID 10419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).