4-(tripropylsilylmethyl)benzenesulfonic acid

C16H28O3SSi — CID 87329707

IUPAC4-(tripropylsilylmethyl)benzenesulfonic acid
SMILESCCC[Si](CCC)(CCC)Cc1ccc(S(=O)(=O)O)cc1
InChIInChI=1S/C16H28O3SSi/c1-4-11-21(12-5-2,13-6-3)14-15-7-9-16(10-8-15)20(17,18)19/h7-10H,4-6,11-14H2,1-3H3,(H,17,18,19)
InChIKeyPNZWUZFQQUYNNB-UHFFFAOYSA-N
MW328.55 g/mol
LogP4.69
Rot. Bonds9

About 4-(tripropylsilylmethyl)benzenesulfonic acid

4-(tripropylsilylmethyl)benzenesulfonic acid (PubChem CID 87329707) has the molecular formula C16H28O3SSi and a molecular weight of 328.55 g/mol. Its IUPAC name is 4-(tripropylsilylmethyl)benzenesulfonic acid.

Molecular Properties

Compound Name4-(tripropylsilylmethyl)benzenesulfonic acid
PubChem CID87329707
Molecular FormulaC16H28O3SSi
Molecular Weight328.55 g/mol
Exact Mass328.15
IUPAC Name4-(tripropylsilylmethyl)benzenesulfonic acid
SMILESCCC[Si](CCC)(CCC)Cc1ccc(S(=O)(=O)O)cc1
InChIInChI=1S/C16H28O3SSi/c1-4-11-21(12-5-2,13-6-3)14-15-7-9-16(10-8-15)20(17,18)19/h7-10H,4-6,11-14H2,1-3H3,(H,17,18,19)
InChIKeyPNZWUZFQQUYNNB-UHFFFAOYSA-N
XLogP4.69
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.55
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-octatriacontylbenzenesulfonic acid
CID 101306527
4-pentatetracontylbenzenesulfonic acid
CID 101306652
4-heptacosylbenzenesulfonic acid
CID 101306334
(4-sulfophenyl)methylazanium hydroxide
CID 87615746
4-(2-trihydroxysilylethyl)benzenesulfonic acid
CID 10890738
4-ethylbenzenesulfonic acid
CID 144748480
4-propylsulfonylbenzenesulfonic acid
CID 163962227
4-(hydroxymethyl)benzenesulfonic acid;methanesulfonic acid
CID 166731783
sodium;4-hexadecylbenzenesulfonic acid;hydride
CID 173423984
4-(sulfanylmethyl)benzenesulfonic acid
CID 57264767
sodium;hypochlorous acid;4-tetradecylbenzenesulfonic acid
CID 22053348
4-[(heptadecylamino)methyl]benzenesulfonic acid
CID 23547340

Frequently Asked Questions

What is the IUPAC name of 4-(tripropylsilylmethyl)benzenesulfonic acid?
The IUPAC name of 4-(tripropylsilylmethyl)benzenesulfonic acid (CID 87329707) is 4-(tripropylsilylmethyl)benzenesulfonic acid.
What is the SMILES notation for 4-(tripropylsilylmethyl)benzenesulfonic acid?
The canonical SMILES for 4-(tripropylsilylmethyl)benzenesulfonic acid is CCC[Si](CCC)(CCC)Cc1ccc(S(=O)(=O)O)cc1.
What is the InChIKey of 4-(tripropylsilylmethyl)benzenesulfonic acid?
The InChIKey is PNZWUZFQQUYNNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O3SSi/c1-4-11-21(12-5-2,13-6-3)14-15-7-9-16(10-8-15)20(17,18)19/h7-10H,4-6,11-14H2,1-3H3,(H,17,18,19).
What are the key properties of 4-(tripropylsilylmethyl)benzenesulfonic acid?
4-(tripropylsilylmethyl)benzenesulfonic acid has a molecular weight of 328.55 g/mol, XLogP of 4.69, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(tripropylsilylmethyl)benzenesulfonic acid is sourced from PubChem (CID 87329707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).