butane;ethane;hexane;propane

C19H48 — CID 167704000

IUPACbutane;ethane;hexane;propane
SMILESCC.CCC.CCCC.CCCC.CCCCCC
InChIInChI=1S/C6H14.2C4H10.C3H8.C2H6/c1-3-5-6-4-2;2*1-3-4-2;1-3-2;1-2/h3-6H2,1-2H3;2*3-4H2,1-2H3;3H2,1-2H3;1-2H3
InChIKeyYVDFJGJHFMDUIG-UHFFFAOYSA-N
MW276.59 g/mol
LogP8.64
Rot. Bonds5

About butane;ethane;hexane;propane

butane;ethane;hexane;propane (PubChem CID 167704000) has the molecular formula C19H48 and a molecular weight of 276.59 g/mol. Its IUPAC name is butane;ethane;hexane;propane.

Molecular Properties

Compound Namebutane;ethane;hexane;propane
PubChem CID167704000
Molecular FormulaC19H48
Molecular Weight276.59 g/mol
Exact Mass276.38
IUPAC Namebutane;ethane;hexane;propane
SMILESCC.CCC.CCCC.CCCC.CCCCCC
InChIInChI=1S/C6H14.2C4H10.C3H8.C2H6/c1-3-5-6-4-2;2*1-3-4-2;1-3-2;1-2/h3-6H2,1-2H3;2*3-4H2,1-2H3;3H2,1-2H3;1-2H3
InChIKeyYVDFJGJHFMDUIG-UHFFFAOYSA-N
XLogP8.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.59
LogP ≤ 58.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

ethane;bis(hexane);propane
CID 173306816
butane;ethane;heptane
CID 143121250
ethane;tris(heptane);propane
CID 158842848
butane;decane;dodecane;ethane;henicosane;heptadecane;heptane;hexadecane;hexane;icosane;methane;nonadecane;nonane;octadecane;octane;pentadecane;pentane;propane;tetradecane;tridecane;undecane
CID 158926505
butane;hexane;octane;pentane;propane
CID 163800652
ethane;pentane;propane
CID 154691570
ethane;octadecane
CID 143981738
bis(hexane);methane;propane
CID 158581590
butane;pentane;propane
CID 153402705
CID 175738153
CID 175738153
hexane;pentane;propane
CID 165146348
cyclobutane;ethane;hexane;propane
CID 142383161

Frequently Asked Questions

What is the IUPAC name of butane;ethane;hexane;propane?
The IUPAC name of butane;ethane;hexane;propane (CID 167704000) is butane;ethane;hexane;propane.
What is the SMILES notation for butane;ethane;hexane;propane?
The canonical SMILES for butane;ethane;hexane;propane is CC.CCC.CCCC.CCCC.CCCCCC.
What is the InChIKey of butane;ethane;hexane;propane?
The InChIKey is YVDFJGJHFMDUIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14.2C4H10.C3H8.C2H6/c1-3-5-6-4-2;2*1-3-4-2;1-3-2;1-2/h3-6H2,1-2H3;2*3-4H2,1-2H3;3H2,1-2H3;1-2H3.
What are the key properties of butane;ethane;hexane;propane?
butane;ethane;hexane;propane has a molecular weight of 276.59 g/mol, XLogP of 8.64, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butane;ethane;hexane;propane is sourced from PubChem (CID 167704000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).