6-ethyldecane-4-sulfonic acid

C12H26O3S — CID 142743561

IUPAC6-ethyldecane-4-sulfonic acid
SMILESCCCCC(CC)CC(CCC)S(=O)(=O)O
InChIInChI=1S/C12H26O3S/c1-4-7-9-11(6-3)10-12(8-5-2)16(13,14)15/h11-12H,4-10H2,1-3H3,(H,13,14,15)
InChIKeyMOXXBNWESPEMQW-UHFFFAOYSA-N
MW250.40 g/mol
LogP3.65
Rot. Bonds9

About 6-ethyldecane-4-sulfonic acid

6-ethyldecane-4-sulfonic acid (PubChem CID 142743561) has the molecular formula C12H26O3S and a molecular weight of 250.40 g/mol. Its IUPAC name is 6-ethyldecane-4-sulfonic acid.

Molecular Properties

Compound Name6-ethyldecane-4-sulfonic acid
PubChem CID142743561
Molecular FormulaC12H26O3S
Molecular Weight250.40 g/mol
Exact Mass250.16
IUPAC Name6-ethyldecane-4-sulfonic acid
SMILESCCCCC(CC)CC(CCC)S(=O)(=O)O
InChIInChI=1S/C12H26O3S/c1-4-7-9-11(6-3)10-12(8-5-2)16(13,14)15/h11-12H,4-10H2,1-3H3,(H,13,14,15)
InChIKeyMOXXBNWESPEMQW-UHFFFAOYSA-N
XLogP3.65
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.40
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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4,5,7-triethylundecane
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3-(2-ethylhexoxymethyl)heptane;sulfuric acid
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(5S)-3,5-diethylnonane;methane
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sodium;hexadecane-4,7-disulfonic acid;hydride
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[(2R)-2-ethylhexyl] hydrogen sulfate
CID 5496779
1-bromo-2-(bromomethyl)-4-ethyloctane
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(2R,4S)-4-ethyloctan-2-ol
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tritetracontane-14-sulfonic acid
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1-aminopentane-2-sulfonic acid
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Frequently Asked Questions

What is the IUPAC name of 6-ethyldecane-4-sulfonic acid?
The IUPAC name of 6-ethyldecane-4-sulfonic acid (CID 142743561) is 6-ethyldecane-4-sulfonic acid.
What is the SMILES notation for 6-ethyldecane-4-sulfonic acid?
The canonical SMILES for 6-ethyldecane-4-sulfonic acid is CCCCC(CC)CC(CCC)S(=O)(=O)O.
What is the InChIKey of 6-ethyldecane-4-sulfonic acid?
The InChIKey is MOXXBNWESPEMQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O3S/c1-4-7-9-11(6-3)10-12(8-5-2)16(13,14)15/h11-12H,4-10H2,1-3H3,(H,13,14,15).
What are the key properties of 6-ethyldecane-4-sulfonic acid?
6-ethyldecane-4-sulfonic acid has a molecular weight of 250.40 g/mol, XLogP of 3.65, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyldecane-4-sulfonic acid is sourced from PubChem (CID 142743561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).