butane;hexane;methane;pentane

C16H40 — CID 162085022

IUPACbutane;hexane;methane;pentane
SMILESC.CCCC.CCCCC.CCCCCC
InChIInChI=1S/C6H14.C5H12.C4H10.CH4/c1-3-5-6-4-2;1-3-5-4-2;1-3-4-2;/h3-6H2,1-2H3;3-5H2,1-2H3;3-4H2,1-2H3;1H4
InChIKeyZCVRXLQQYOMVCK-UHFFFAOYSA-N
MW232.50 g/mol
LogP7.23
Rot. Bonds6

About butane;hexane;methane;pentane

butane;hexane;methane;pentane (PubChem CID 162085022) has the molecular formula C16H40 and a molecular weight of 232.50 g/mol. Its IUPAC name is butane;hexane;methane;pentane.

Molecular Properties

Compound Namebutane;hexane;methane;pentane
PubChem CID162085022
Molecular FormulaC16H40
Molecular Weight232.50 g/mol
Exact Mass232.31
IUPAC Namebutane;hexane;methane;pentane
SMILESC.CCCC.CCCCC.CCCCCC
InChIInChI=1S/C6H14.C5H12.C4H10.CH4/c1-3-5-6-4-2;1-3-5-4-2;1-3-4-2;/h3-6H2,1-2H3;3-5H2,1-2H3;3-4H2,1-2H3;1H4
InChIKeyZCVRXLQQYOMVCK-UHFFFAOYSA-N
XLogP7.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500232.50
LogP ≤ 57.23
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

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CID 158926505
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methane;pentane;propane
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heptane;hexane;octane;pentane
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methane;pentane;propane
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bis(hexane);methane;propane
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Frequently Asked Questions

What is the IUPAC name of butane;hexane;methane;pentane?
The IUPAC name of butane;hexane;methane;pentane (CID 162085022) is butane;hexane;methane;pentane.
What is the SMILES notation for butane;hexane;methane;pentane?
The canonical SMILES for butane;hexane;methane;pentane is C.CCCC.CCCCC.CCCCCC.
What is the InChIKey of butane;hexane;methane;pentane?
The InChIKey is ZCVRXLQQYOMVCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14.C5H12.C4H10.CH4/c1-3-5-6-4-2;1-3-5-4-2;1-3-4-2;/h3-6H2,1-2H3;3-5H2,1-2H3;3-4H2,1-2H3;1H4.
What are the key properties of butane;hexane;methane;pentane?
butane;hexane;methane;pentane has a molecular weight of 232.50 g/mol, XLogP of 7.23, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butane;hexane;methane;pentane is sourced from PubChem (CID 162085022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).