butane;but-1-yne;propane

C11H24 — CID 155749259

IUPACbutane;but-1-yne;propane
SMILESC#CCC.CCC.CCCC
InChIInChI=1S/C4H10.C4H6.C3H8/c2*1-3-4-2;1-3-2/h3-4H2,1-2H3;1H,4H2,2H3;3H2,1-2H3
InChIKeyODOFHPOIBNLMES-UHFFFAOYSA-N
MW156.31 g/mol
LogP4.25
Rot. Bonds1

About butane;but-1-yne;propane

butane;but-1-yne;propane (PubChem CID 155749259) has the molecular formula C11H24 and a molecular weight of 156.31 g/mol. Its IUPAC name is butane;but-1-yne;propane.

Molecular Properties

Compound Namebutane;but-1-yne;propane
PubChem CID155749259
Molecular FormulaC11H24
Molecular Weight156.31 g/mol
Exact Mass156.19
IUPAC Namebutane;but-1-yne;propane
SMILESC#CCC.CCC.CCCC
InChIInChI=1S/C4H10.C4H6.C3H8/c2*1-3-4-2;1-3-2/h3-4H2,1-2H3;1H,4H2,2H3;3H2,1-2H3
InChIKeyODOFHPOIBNLMES-UHFFFAOYSA-N
XLogP4.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.31
LogP ≤ 54.25
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;hexane
CID 18785170
but-1-yne;ruthenium;hydrochloride
CID 160987878
but-1-yne;bis(but-2-yne);methane
CID 159335852
but-1-yne;propan-2-ylsilane
CID 174573214
bicyclo[2.2.0]hexa-1,3,5-triene;but-1-yne
CID 174273836
but-1-yne;thiophene
CID 157338578
1-tritiobut-1-yne
CID 59073177
but-1-yne;oxolane
CID 175164461
butane;propanenitrile
CID 174979809
butane;2-methylbut-1-en-3-yne
CID 145419919
but-1-yne;toluene
CID 160606146

Frequently Asked Questions

What is the IUPAC name of butane;but-1-yne;propane?
The IUPAC name of butane;but-1-yne;propane (CID 155749259) is butane;but-1-yne;propane.
What is the SMILES notation for butane;but-1-yne;propane?
The canonical SMILES for butane;but-1-yne;propane is C#CCC.CCC.CCCC.
What is the InChIKey of butane;but-1-yne;propane?
The InChIKey is ODOFHPOIBNLMES-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10.C4H6.C3H8/c2*1-3-4-2;1-3-2/h3-4H2,1-2H3;1H,4H2,2H3;3H2,1-2H3.
What are the key properties of butane;but-1-yne;propane?
butane;but-1-yne;propane has a molecular weight of 156.31 g/mol, XLogP of 4.25, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butane;but-1-yne;propane is sourced from PubChem (CID 155749259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).