10-phenyldecane-1-sulfonic acid

C16H26O3S — CID 58984189

IUPAC10-phenyldecane-1-sulfonic acid
SMILESO=S(=O)(O)CCCCCCCCCCc1ccccc1
InChIInChI=1S/C16H26O3S/c17-20(18,19)15-11-6-4-2-1-3-5-8-12-16-13-9-7-10-14-16/h7,9-10,13-14H,1-6,8,11-12,15H2,(H,17,18,19)
InChIKeyLLEMGNAEKHXHHI-UHFFFAOYSA-N
MW298.45 g/mol
LogP4.24
Rot. Bonds11

About 10-phenyldecane-1-sulfonic acid

10-phenyldecane-1-sulfonic acid (PubChem CID 58984189) has the molecular formula C16H26O3S and a molecular weight of 298.45 g/mol. Its IUPAC name is 10-phenyldecane-1-sulfonic acid.

Molecular Properties

Compound Name10-phenyldecane-1-sulfonic acid
PubChem CID58984189
Molecular FormulaC16H26O3S
Molecular Weight298.45 g/mol
Exact Mass298.16
IUPAC Name10-phenyldecane-1-sulfonic acid
SMILESO=S(=O)(O)CCCCCCCCCCc1ccccc1
InChIInChI=1S/C16H26O3S/c17-20(18,19)15-11-6-4-2-1-3-5-8-12-16-13-9-7-10-14-16/h7,9-10,13-14H,1-6,8,11-12,15H2,(H,17,18,19)
InChIKeyLLEMGNAEKHXHHI-UHFFFAOYSA-N
XLogP4.24
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.45
LogP ≤ 54.24
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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Related Compounds

sodium;hydride;4-(4-phenylbutoxy)butane-1-sulfonic acid
CID 173132600
4-(4-phenylbutylsulfonyl)butylbenzene
CID 70468291
6-phenylhexane-1-sulfonamide
CID 67179834
6-(benzenesulfonyl)hexane-1-sulfonic acid
CID 123592456
8-pyridin-3-yloctane-1-sulfonic acid
CID 102468636
dimethyl-[6-(4-phenylphenyl)hexyl]-(4-sulfobutyl)azanium
CID 11796239
4-pyridin-4-ylbutane-1-sulfonic acid
CID 139889717
4-(4-aminophenyl)butane-1-sulfonic acid
CID 87801899
4-phenylbutane-1-sulfonyl chloride
CID 13237419
sodium;hydride;octadecylbenzene;sulfuric acid
CID 173411990
4-(benzylamino)butane-1-sulfonic acid
CID 11368524
3-[methyl(2-phenylethyl)amino]propane-1-sulfonic acid
CID 87177450

Frequently Asked Questions

What is the IUPAC name of 10-phenyldecane-1-sulfonic acid?
The IUPAC name of 10-phenyldecane-1-sulfonic acid (CID 58984189) is 10-phenyldecane-1-sulfonic acid.
What is the SMILES notation for 10-phenyldecane-1-sulfonic acid?
The canonical SMILES for 10-phenyldecane-1-sulfonic acid is O=S(=O)(O)CCCCCCCCCCc1ccccc1.
What is the InChIKey of 10-phenyldecane-1-sulfonic acid?
The InChIKey is LLEMGNAEKHXHHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O3S/c17-20(18,19)15-11-6-4-2-1-3-5-8-12-16-13-9-7-10-14-16/h7,9-10,13-14H,1-6,8,11-12,15H2,(H,17,18,19).
What are the key properties of 10-phenyldecane-1-sulfonic acid?
10-phenyldecane-1-sulfonic acid has a molecular weight of 298.45 g/mol, XLogP of 4.24, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-phenyldecane-1-sulfonic acid is sourced from PubChem (CID 58984189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).