butane;ethane;methanesulfonic acid;octane

C15H38O3S — CID 144526252

IUPACbutane;ethane;methanesulfonic acid;octane
SMILESCC.CCCC.CCCCCCCC.CS(=O)(=O)O
InChIInChI=1S/C8H18.C4H10.C2H6.CH4O3S/c1-3-5-7-8-6-4-2;1-3-4-2;1-2;1-5(2,3)4/h3-8H2,1-2H3;3-4H2,1-2H3;1-2H3;1H3,(H,2,3,4)
InChIKeyDGJHHDRQHYZUSG-UHFFFAOYSA-N
MW298.53 g/mol
LogP5.70
Rot. Bonds6

About butane;ethane;methanesulfonic acid;octane

butane;ethane;methanesulfonic acid;octane (PubChem CID 144526252) has the molecular formula C15H38O3S and a molecular weight of 298.53 g/mol. Its IUPAC name is butane;ethane;methanesulfonic acid;octane.

Molecular Properties

Compound Namebutane;ethane;methanesulfonic acid;octane
PubChem CID144526252
Molecular FormulaC15H38O3S
Molecular Weight298.53 g/mol
Exact Mass298.25
IUPAC Namebutane;ethane;methanesulfonic acid;octane
SMILESCC.CCCC.CCCCCCCC.CS(=O)(=O)O
InChIInChI=1S/C8H18.C4H10.C2H6.CH4O3S/c1-3-5-7-8-6-4-2;1-3-4-2;1-2;1-5(2,3)4/h3-8H2,1-2H3;3-4H2,1-2H3;1-2H3;1H3,(H,2,3,4)
InChIKeyDGJHHDRQHYZUSG-UHFFFAOYSA-N
XLogP5.70
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.53
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of butane;ethane;methanesulfonic acid;octane?
The IUPAC name of butane;ethane;methanesulfonic acid;octane (CID 144526252) is butane;ethane;methanesulfonic acid;octane.
What is the SMILES notation for butane;ethane;methanesulfonic acid;octane?
The canonical SMILES for butane;ethane;methanesulfonic acid;octane is CC.CCCC.CCCCCCCC.CS(=O)(=O)O.
What is the InChIKey of butane;ethane;methanesulfonic acid;octane?
The InChIKey is DGJHHDRQHYZUSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18.C4H10.C2H6.CH4O3S/c1-3-5-7-8-6-4-2;1-3-4-2;1-2;1-5(2,3)4/h3-8H2,1-2H3;3-4H2,1-2H3;1-2H3;1H3,(H,2,3,4).
What are the key properties of butane;ethane;methanesulfonic acid;octane?
butane;ethane;methanesulfonic acid;octane has a molecular weight of 298.53 g/mol, XLogP of 5.70, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butane;ethane;methanesulfonic acid;octane is sourced from PubChem (CID 144526252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).