butane;decane;dodecane;ethane;henicosane;heptadecane;heptane;hexadecane;hexane;icosane;methane;nonadecane;nonane;octadecane;octane;pentadecane;pentane;propane;tetradecane;tridecane;undecane

C231H504 — CID 158926505

IUPACbutane;decane;dodecane;ethane;henicosane;heptadecane;heptane;hexadecane;hexane;icosane;methane;nonadecane;nonane;octadecane;octane;pentadecane;pentane;propane;tetradecane;tridecane;undecane
SMILESC.CC.CCC.CCCC.CCCCC.CCCCCC.CCCCCCC.CCCCCCCC.CCCCCCCCC.CCCCCCCCCC.CCCCCCCCCCC.CCCCCCCCCCCC.CCCCCCCCCCCCC.CCCCCCCCCCCCCC.CCCCCCCCCCCCCCC.CCCCCCCCCCCCCCCC.CCCCCCCCCCCCCCCCC.CCCCCCCCCCCCCCCCCC.CCCCCCCCCCCCCCCCCCC.CCCCCCCCCCCCCCCCCCCC.CCCCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C21H44.C20H42.C19H40.C18H38.C17H36.C16H34.C15H32.C14H30.C13H28.C12H26.C11H24.C10H22.C9H20.C8H18.C7H16.C6H14.C5H12.C4H10.C3H8.C2H6.CH4/c1-3-5-7-9-11-13-15-17-19-21-20-18-16-14-12-10-8-6-4-2;1-3-5-7-9-11-13-15-17-19-20-18-16-14-12-10-8-6-4-2;1-3-5-7-9-11-13-15-17-19-18-16-14-12-10-8-6-4-2;1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2;1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2;1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2;1-3-5-7-9-11-13-15-14-12-10-8-6-4-2;1-3-5-7-9-11-13-14-12-10-8-6-4-2;1-3-5-7-9-11-13-12-10-8-6-4-2;1-3-5-7-9-11-12-10-8-6-4-2;1-3-5-7-9-11-10-8-6-4-2;1-3-5-7-9-10-8-6-4-2;1-3-5-7-9-8-6-4-2;1-3-5-7-8-6-4-2;1-3-5-7-6-4-2;1-3-5-6-4-2;1-3-5-4-2;1-3-4-2;1-3-2;1-2;/h3-21H2,1-2H3;3-20H2,1-2H3;3-19H2,1-2H3;3-18H2,1-2H3;3-17H2,1-2H3;3-16H2,1-2H3;3-15H2,1-2H3;3-14H2,1-2H3;3-13H2,1-2H3;3-12H2,1-2H3;3-11H2,1-2H3;3-10H2,1-2H3;3-9H2,1-2H3;3-8H2,1-2H3;3-7H2,1-2H3;3-6H2,1-2H3;3-5H2,1-2H3;3-4H2,1-2H3;3H2,1-2H3;1-2H3;1H4
InChIKeyJIMXBRGKQHJGLD-UHFFFAOYSA-N
MW3282.57 g/mol
LogP95.28
Rot. Bonds171

About butane;decane;dodecane;ethane;henicosane;heptadecane;heptane;hexadecane;hexane;icosane;methane;nonadecane;nonane;octadecane;octane;pentadecane;pentane;propane;tetradecane;tridecane;undecane

butane;decane;dodecane;ethane;henicosane;heptadecane;heptane;hexadecane;hexane;icosane;methane;nonadecane;nonane;octadecane;octane;pentadecane;pentane;propane;tetradecane;tridecane;undecane (PubChem CID 158926505) has the molecular formula C231H504 and a molecular weight of 3282.57 g/mol. Its IUPAC name is butane;decane;dodecane;ethane;henicosane;heptadecane;heptane;hexadecane;hexane;icosane;methane;nonadecane;nonane;octadecane;octane;pentadecane;pentane;propane;tetradecane;tridecane;undecane.

Molecular Properties

Compound Namebutane;decane;dodecane;ethane;henicosane;heptadecane;heptane;hexadecane;hexane;icosane;methane;nonadecane;nonane;octadecane;octane;pentadecane;pentane;propane;tetradecane;tridecane;undecane
PubChem CID158926505
Molecular FormulaC231H504
Molecular Weight3282.57 g/mol
Exact Mass3279.94
IUPAC Namebutane;decane;dodecane;ethane;henicosane;heptadecane;heptane;hexadecane;hexane;icosane;methane;nonadecane;nonane;octadecane;octane;pentadecane;pentane;propane;tetradecane;tridecane;undecane
SMILESC.CC.CCC.CCCC.CCCCC.CCCCCC.CCCCCCC.CCCCCCCC.CCCCCCCCC.CCCCCCCCCC.CCCCCCCCCCC.CCCCCCCCCCCC.CCCCCCCCCCCCC.CCCCCCCCCCCCCC.CCCCCCCCCCCCCCC.CCCCCCCCCCCCCCCC.CCCCCCCCCCCCCCCCC.CCCCCCCCCCCCCCCCCC.CCCCCCCCCCCCCCCCCCC.CCCCCCCCCCCCCCCCCCCC.CCCCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C21H44.C20H42.C19H40.C18H38.C17H36.C16H34.C15H32.C14H30.C13H28.C12H26.C11H24.C10H22.C9H20.C8H18.C7H16.C6H14.C5H12.C4H10.C3H8.C2H6.CH4/c1-3-5-7-9-11-13-15-17-19-21-20-18-16-14-12-10-8-6-4-2;1-3-5-7-9-11-13-15-17-19-20-18-16-14-12-10-8-6-4-2;1-3-5-7-9-11-13-15-17-19-18-16-14-12-10-8-6-4-2;1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2;1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2;1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2;1-3-5-7-9-11-13-15-14-12-10-8-6-4-2;1-3-5-7-9-11-13-14-12-10-8-6-4-2;1-3-5-7-9-11-13-12-10-8-6-4-2;1-3-5-7-9-11-12-10-8-6-4-2;1-3-5-7-9-11-10-8-6-4-2;1-3-5-7-9-10-8-6-4-2;1-3-5-7-9-8-6-4-2;1-3-5-7-8-6-4-2;1-3-5-7-6-4-2;1-3-5-6-4-2;1-3-5-4-2;1-3-4-2;1-3-2;1-2;/h3-21H2,1-2H3;3-20H2,1-2H3;3-19H2,1-2H3;3-18H2,1-2H3;3-17H2,1-2H3;3-16H2,1-2H3;3-15H2,1-2H3;3-14H2,1-2H3;3-13H2,1-2H3;3-12H2,1-2H3;3-11H2,1-2H3;3-10H2,1-2H3;3-9H2,1-2H3;3-8H2,1-2H3;3-7H2,1-2H3;3-6H2,1-2H3;3-5H2,1-2H3;3-4H2,1-2H3;3H2,1-2H3;1-2H3;1H4
InChIKeyJIMXBRGKQHJGLD-UHFFFAOYSA-N
XLogP95.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds171
Heavy Atoms231
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003282.57
LogP ≤ 595.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze butane;decane;dodecane;ethane;henicosane;heptadecane;heptane;hexadecane;hexane;icosane;methane;nonadecane;nonane;octadecane;octane;pentadecane;pentane;propane;tetradecane;tridecane;undecane with MolForge

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Frequently Asked Questions

What is the IUPAC name of butane;decane;dodecane;ethane;henicosane;heptadecane;heptane;hexadecane;hexane;icosane;methane;nonadecane;nonane;octadecane;octane;pentadecane;pentane;propane;tetradecane;tridecane;undecane?
The IUPAC name of butane;decane;dodecane;ethane;henicosane;heptadecane;heptane;hexadecane;hexane;icosane;methane;nonadecane;nonane;octadecane;octane;pentadecane;pentane;propane;tetradecane;tridecane;undecane (CID 158926505) is butane;decane;dodecane;ethane;henicosane;heptadecane;heptane;hexadecane;hexane;icosane;methane;nonadecane;nonane;octadecane;octane;pentadecane;pentane;propane;tetradecane;tridecane;undecane.
What is the SMILES notation for butane;decane;dodecane;ethane;henicosane;heptadecane;heptane;hexadecane;hexane;icosane;methane;nonadecane;nonane;octadecane;octane;pentadecane;pentane;propane;tetradecane;tridecane;undecane?
The canonical SMILES for butane;decane;dodecane;ethane;henicosane;heptadecane;heptane;hexadecane;hexane;icosane;methane;nonadecane;nonane;octadecane;octane;pentadecane;pentane;propane;tetradecane;tridecane;undecane is C.CC.CCC.CCCC.CCCCC.CCCCCC.CCCCCCC.CCCCCCCC.CCCCCCCCC.CCCCCCCCCC.CCCCCCCCCCC.CCCCCCCCCCCC.CCCCCCCCCCCCC.CCCCCCCCCCCCCC.CCCCCCCCCCCCCCC.CCCCCCCCCCCCCCCC.CCCCCCCCCCCCCCCCC.CCCCCCCCCCCCCCCCCC.CCCCCCCCCCCCCCCCCCC.CCCCCCCCCCCCCCCCCCCC.CCCCCCCCCCCCCCCCCCCCC.
What is the InChIKey of butane;decane;dodecane;ethane;henicosane;heptadecane;heptane;hexadecane;hexane;icosane;methane;nonadecane;nonane;octadecane;octane;pentadecane;pentane;propane;tetradecane;tridecane;undecane?
The InChIKey is JIMXBRGKQHJGLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H44.C20H42.C19H40.C18H38.C17H36.C16H34.C15H32.C14H30.C13H28.C12H26.C11H24.C10H22.C9H20.C8H18.C7H16.C6H14.C5H12.C4H10.C3H8.C2H6.CH4/c1-3-5-7-9-11-13-15-17-19-21-20-18-16-14-12-10-8-6-4-2;1-3-5-7-9-11-13-15-17-19-20-18-16-14-12-10-8-6-4-2;1-3-5-7-9-11-13-15-17-19-18-16-14-12-10-8-6-4-2;1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2;1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2;1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2;1-3-5-7-9-11-13-15-14-12-10-8-6-4-2;1-3-5-7-9-11-13-14-12-10-8-6-4-2;1-3-5-7-9-11-13-12-10-8-6-4-2;1-3-5-7-9-11-12-10-8-6-4-2;1-3-5-7-9-11-10-8-6-4-2;1-3-5-7-9-10-8-6-4-2;1-3-5-7-9-8-6-4-2;1-3-5-7-8-6-4-2;1-3-5-7-6-4-2;1-3-5-6-4-2;1-3-5-4-2;1-3-4-2;1-3-2;1-2;/h3-21H2,1-2H3;3-20H2,1-2H3;3-19H2,1-2H3;3-18H2,1-2H3;3-17H2,1-2H3;3-16H2,1-2H3;3-15H2,1-2H3;3-14H2,1-2H3;3-13H2,1-2H3;3-12H2,1-2H3;3-11H2,1-2H3;3-10H2,1-2H3;3-9H2,1-2H3;3-8H2,1-2H3;3-7H2,1-2H3;3-6H2,1-2H3;3-5H2,1-2H3;3-4H2,1-2H3;3H2,1-2H3;1-2H3;1H4.
What are the key properties of butane;decane;dodecane;ethane;henicosane;heptadecane;heptane;hexadecane;hexane;icosane;methane;nonadecane;nonane;octadecane;octane;pentadecane;pentane;propane;tetradecane;tridecane;undecane?
butane;decane;dodecane;ethane;henicosane;heptadecane;heptane;hexadecane;hexane;icosane;methane;nonadecane;nonane;octadecane;octane;pentadecane;pentane;propane;tetradecane;tridecane;undecane has a molecular weight of 3282.57 g/mol, XLogP of 95.28, 171 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butane;decane;dodecane;ethane;henicosane;heptadecane;heptane;hexadecane;hexane;icosane;methane;nonadecane;nonane;octadecane;octane;pentadecane;pentane;propane;tetradecane;tridecane;undecane is sourced from PubChem (CID 158926505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).