but-2-yne;bis(prop-1-yne)

C10H14 — CID 159474531

IUPACbut-2-yne;bis(prop-1-yne)
SMILESC#CC.C#CC.CC#CC
InChIInChI=1S/C4H6.2C3H4/c1-3-4-2;2*1-3-2/h1-2H3;2*1H,2H3
InChIKeyLWFFNSOIHDIXGH-UHFFFAOYSA-N
MW134.22 g/mol
LogP2.31
Rot. Bonds

About but-2-yne;bis(prop-1-yne)

but-2-yne;bis(prop-1-yne) (PubChem CID 159474531) has the molecular formula C10H14 and a molecular weight of 134.22 g/mol. Its IUPAC name is but-2-yne;bis(prop-1-yne).

Molecular Properties

Compound Namebut-2-yne;bis(prop-1-yne)
PubChem CID159474531
Molecular FormulaC10H14
Molecular Weight134.22 g/mol
Exact Mass134.11
IUPAC Namebut-2-yne;bis(prop-1-yne)
SMILESC#CC.C#CC.CC#CC
InChIInChI=1S/C4H6.2C3H4/c1-3-4-2;2*1-3-2/h1-2H3;2*1H,2H3
InChIKeyLWFFNSOIHDIXGH-UHFFFAOYSA-N
XLogP2.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.22
LogP ≤ 52.31
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

1-Pentyne
CID 12309
4-Octyne
CID 16029
3,5-Octadiyne
CID 140066
1,5-Decadiyne
CID 104660
2,6-Octadiyne
CID 136585
4,6-Decadiyne
CID 140067
3,5-Nonadiyne
CID 185922
Trideca-1,3,5,7,9-pentayne
CID 139646581
1,5-Octadiyne
CID 522621
1,6-Octadiyne
CID 524955
1,5-Heptadiyne
CID 561096
Trideca-2,4,6,8,10-pentayne
CID 162849204

Frequently Asked Questions

What is the IUPAC name of but-2-yne;bis(prop-1-yne)?
The IUPAC name of but-2-yne;bis(prop-1-yne) (CID 159474531) is but-2-yne;bis(prop-1-yne).
What is the SMILES notation for but-2-yne;bis(prop-1-yne)?
The canonical SMILES for but-2-yne;bis(prop-1-yne) is C#CC.C#CC.CC#CC.
What is the InChIKey of but-2-yne;bis(prop-1-yne)?
The InChIKey is LWFFNSOIHDIXGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6.2C3H4/c1-3-4-2;2*1-3-2/h1-2H3;2*1H,2H3.
What are the key properties of but-2-yne;bis(prop-1-yne)?
but-2-yne;bis(prop-1-yne) has a molecular weight of 134.22 g/mol, XLogP of 2.31, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for but-2-yne;bis(prop-1-yne) is sourced from PubChem (CID 159474531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).