but-1-yne;hexane

C10H20 — CID 18785170

IUPACbut-1-yne;hexane
SMILESC#CCC.CCCCCC
InChIInChI=1S/C6H14.C4H6/c1-3-5-6-4-2;1-3-4-2/h3-6H2,1-2H3;1H,4H2,2H3
InChIKeyFRWFJGIZVLZIHF-UHFFFAOYSA-N
MW140.27 g/mol
LogP3.62
Rot. Bonds3

About but-1-yne;hexane

but-1-yne;hexane (PubChem CID 18785170) has the molecular formula C10H20 and a molecular weight of 140.27 g/mol. Its IUPAC name is but-1-yne;hexane.

Molecular Properties

Compound Namebut-1-yne;hexane
PubChem CID18785170
Molecular FormulaC10H20
Molecular Weight140.27 g/mol
Exact Mass140.16
IUPAC Namebut-1-yne;hexane
SMILESC#CCC.CCCCCC
InChIInChI=1S/C6H14.C4H6/c1-3-5-6-4-2;1-3-4-2/h3-6H2,1-2H3;1H,4H2,2H3
InChIKeyFRWFJGIZVLZIHF-UHFFFAOYSA-N
XLogP3.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.27
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

but-1-yne;hydrochloride
CID 172711742
oct-1-yne
CID 19597608
but-1-yne;ruthenium;hydrochloride
CID 160987878
CID 172706336
CID 172706336
acetylene;heptane;hexane
CID 173326274
but-1-yne;bis(but-2-yne);methane
CID 159335852
azane;hexane
CID 18428977
hexane;tungsten
CID 162105258
triacontane
CID 12535
dictane
CID 19848341
hexane;molybdenum
CID 162092649
hexane;tetrahydrate
CID 174107213

Frequently Asked Questions

What is the IUPAC name of but-1-yne;hexane?
The IUPAC name of but-1-yne;hexane (CID 18785170) is but-1-yne;hexane.
What is the SMILES notation for but-1-yne;hexane?
The canonical SMILES for but-1-yne;hexane is C#CCC.CCCCCC.
What is the InChIKey of but-1-yne;hexane?
The InChIKey is FRWFJGIZVLZIHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14.C4H6/c1-3-5-6-4-2;1-3-4-2/h3-6H2,1-2H3;1H,4H2,2H3.
What are the key properties of but-1-yne;hexane?
but-1-yne;hexane has a molecular weight of 140.27 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for but-1-yne;hexane is sourced from PubChem (CID 18785170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).