10-phenoxydecane-1-sulfonic acid

C16H26O4S — CID 58984193

IUPAC10-phenoxydecane-1-sulfonic acid
SMILESO=S(=O)(O)CCCCCCCCCCOc1ccccc1
InChIInChI=1S/C16H26O4S/c17-21(18,19)15-11-6-4-2-1-3-5-10-14-20-16-12-8-7-9-13-16/h7-9,12-13H,1-6,10-11,14-15H2,(H,17,18,19)
InChIKeyFTECIXOJECSRER-UHFFFAOYSA-N
MW314.45 g/mol
LogP4.07
Rot. Bonds12

About 10-phenoxydecane-1-sulfonic acid

10-phenoxydecane-1-sulfonic acid (PubChem CID 58984193) has the molecular formula C16H26O4S and a molecular weight of 314.45 g/mol. Its IUPAC name is 10-phenoxydecane-1-sulfonic acid.

Molecular Properties

Compound Name10-phenoxydecane-1-sulfonic acid
PubChem CID58984193
Molecular FormulaC16H26O4S
Molecular Weight314.45 g/mol
Exact Mass314.16
IUPAC Name10-phenoxydecane-1-sulfonic acid
SMILESO=S(=O)(O)CCCCCCCCCCOc1ccccc1
InChIInChI=1S/C16H26O4S/c17-21(18,19)15-11-6-4-2-1-3-5-10-14-20-16-12-8-7-9-13-16/h7-9,12-13H,1-6,10-11,14-15H2,(H,17,18,19)
InChIKeyFTECIXOJECSRER-UHFFFAOYSA-N
XLogP4.07
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.45
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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Related Compounds

4-(4-heptoxyphenoxy)butane-1-sulfonic acid
CID 58983762
6-(3-formylphenoxy)hexane-1-sulfonic acid
CID 134562395
sodium;hydride;4-(4-methoxyphenoxy)butane-1-sulfonic acid
CID 173443474
azane;pentoxybenzene;sulfuric acid
CID 173020031
3-[4-[4-(6-hydroxyhexoxy)phenyl]phenoxy]propane-1-sulfonic acid
CID 58983737
3-(4-phenoxybutylsulfonyl)propanoic acid
CID 82180539
6-thiophen-3-yloxyhexane-1-sulfonic acid
CID 87451736
4-(2-aminophenoxy)butane-1-sulfonic acid
CID 18954137
hydroxy-oxo-(3-phenoxypropoxy)-sulfanylidene-λ6-sulfane
CID 54414748
7-phenoxyheptan-1-ol
CID 15856264
but-1-ene;5-(4-methylphenoxy)pentane-1-sulfonic acid
CID 142364186
4-(4-methylsulfanylperoxyphenoxy)butane-1-sulfonic acid
CID 58914102

Frequently Asked Questions

What is the IUPAC name of 10-phenoxydecane-1-sulfonic acid?
The IUPAC name of 10-phenoxydecane-1-sulfonic acid (CID 58984193) is 10-phenoxydecane-1-sulfonic acid.
What is the SMILES notation for 10-phenoxydecane-1-sulfonic acid?
The canonical SMILES for 10-phenoxydecane-1-sulfonic acid is O=S(=O)(O)CCCCCCCCCCOc1ccccc1.
What is the InChIKey of 10-phenoxydecane-1-sulfonic acid?
The InChIKey is FTECIXOJECSRER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O4S/c17-21(18,19)15-11-6-4-2-1-3-5-10-14-20-16-12-8-7-9-13-16/h7-9,12-13H,1-6,10-11,14-15H2,(H,17,18,19).
What are the key properties of 10-phenoxydecane-1-sulfonic acid?
10-phenoxydecane-1-sulfonic acid has a molecular weight of 314.45 g/mol, XLogP of 4.07, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-phenoxydecane-1-sulfonic acid is sourced from PubChem (CID 58984193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).