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

C14H26 — CID 159335852

IUPACbut-1-yne;bis(but-2-yne);methane
SMILESC.C.C#CCC.CC#CC.CC#CC
InChIInChI=1S/3C4H6.2CH4/c3*1-3-4-2;;/h2*1-2H3;1H,4H2,2H3;2*1H4
InChIKeyLFNGTMRSYDQMCP-UHFFFAOYSA-N
MW194.36 g/mol
LogP4.36
Rot. Bonds

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

but-1-yne;bis(but-2-yne);methane (PubChem CID 159335852) has the molecular formula C14H26 and a molecular weight of 194.36 g/mol. Its IUPAC name is but-1-yne;bis(but-2-yne);methane.

Molecular Properties

Compound Namebut-1-yne;bis(but-2-yne);methane
PubChem CID159335852
Molecular FormulaC14H26
Molecular Weight194.36 g/mol
Exact Mass194.20
IUPAC Namebut-1-yne;bis(but-2-yne);methane
SMILESC.C.C#CCC.CC#CC.CC#CC
InChIInChI=1S/3C4H6.2CH4/c3*1-3-4-2;;/h2*1-2H3;1H,4H2,2H3;2*1H4
InChIKeyLFNGTMRSYDQMCP-UHFFFAOYSA-N
XLogP4.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.36
LogP ≤ 54.36
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

but-1-yne;hydrochloride
CID 172711742
but-1-yne;ruthenium;hydrochloride
CID 160987878
butane;but-1-yne;propane
CID 155749259
acetylene;but-2-yne;carbanide;ethane;methane;platinum(4+);propane;prop-1-yne
CID 165040725
but-1-yne;hexane
CID 18785170
but-2-yne;bis(prop-1-yne)
CID 159474531
but-2-yne;methane
CID 165057391
but-1-yne;propan-2-ylsilane
CID 174573214
bicyclo[2.2.0]hexa-1,3,5-triene;but-1-yne
CID 174273836
tris(but-2-yne);methane;heptadecakis(vanadium)
CID 160682920
methane;prop-1-yne
CID 157284750
but-1-yne;thiophene
CID 157338578

Frequently Asked Questions

What is the IUPAC name of but-1-yne;bis(but-2-yne);methane?
The IUPAC name of but-1-yne;bis(but-2-yne);methane (CID 159335852) is but-1-yne;bis(but-2-yne);methane.
What is the SMILES notation for but-1-yne;bis(but-2-yne);methane?
The canonical SMILES for but-1-yne;bis(but-2-yne);methane is C.C.C#CCC.CC#CC.CC#CC.
What is the InChIKey of but-1-yne;bis(but-2-yne);methane?
The InChIKey is LFNGTMRSYDQMCP-UHFFFAOYSA-N. The full InChI is InChI=1S/3C4H6.2CH4/c3*1-3-4-2;;/h2*1-2H3;1H,4H2,2H3;2*1H4.
What are the key properties of but-1-yne;bis(but-2-yne);methane?
but-1-yne;bis(but-2-yne);methane has a molecular weight of 194.36 g/mol, XLogP of 4.36, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for but-1-yne;bis(but-2-yne);methane is sourced from PubChem (CID 159335852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).