5-dimethylsilyloxy-5-oxo-4-sulfopentanoic acid

C7H14O7SSi — CID 174712576

IUPAC5-dimethylsilyloxy-5-oxo-4-sulfopentanoic acid
SMILESC[SiH](C)OC(=O)C(CCC(=O)O)S(=O)(=O)O
InChIInChI=1S/C7H14O7SSi/c1-16(2)14-7(10)5(15(11,12)13)3-4-6(8)9/h5,16H,3-4H2,1-2H3,(H,8,9)(H,11,12,13)
InChIKeyXUODZQCBCVKNLT-UHFFFAOYSA-N
MW270.33 g/mol
LogP-0.37
Rot. Bonds6

About 5-dimethylsilyloxy-5-oxo-4-sulfopentanoic acid

5-dimethylsilyloxy-5-oxo-4-sulfopentanoic acid (PubChem CID 174712576) has the molecular formula C7H14O7SSi and a molecular weight of 270.33 g/mol. Its IUPAC name is 5-dimethylsilyloxy-5-oxo-4-sulfopentanoic acid.

Molecular Properties

Compound Name5-dimethylsilyloxy-5-oxo-4-sulfopentanoic acid
PubChem CID174712576
Molecular FormulaC7H14O7SSi
Molecular Weight270.33 g/mol
Exact Mass270.02
IUPAC Name5-dimethylsilyloxy-5-oxo-4-sulfopentanoic acid
SMILESC[SiH](C)OC(=O)C(CCC(=O)O)S(=O)(=O)O
InChIInChI=1S/C7H14O7SSi/c1-16(2)14-7(10)5(15(11,12)13)3-4-6(8)9/h5,16H,3-4H2,1-2H3,(H,8,9)(H,11,12,13)
InChIKeyXUODZQCBCVKNLT-UHFFFAOYSA-N
XLogP-0.37
TPSA117.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-amino-1-methoxy-1-oxobutane-2-sulfonic acid
CID 129196410
2-aminopentanedioic acid;methanesulfonic acid
CID 87765060
7-acetamido-4-amino-5-oxo-6-sulfoheptanoic acid
CID 88708593
dipotassium;hydride;2-sulfohexanedioic acid
CID 173413962
5-amino-5-sulfopentanoic acid
CID 174439740
4-oxo-3-sulfo-4-sulfooxybutanoic acid
CID 57247480
4-(4-methylpentoxy)-4-oxo-3-sulfobutanoic acid
CID 22463796
1,14-dimethoxy-1,14-dioxotetradecane-2-sulfonic acid
CID 11303077
4-amino-4-oxobutanoic acid;2-sulfobutanedioic acid
CID 157095535
(2R)-1-ethoxy-1-oxodocosane-2-sulfonic acid
CID 98160424
(2R)-1-ethoxy-1-oxododecane-2-sulfonic acid
CID 96570930
(4S)-4-amino-4-methoxybutanoic acid
CID 146176394

Frequently Asked Questions

What is the IUPAC name of 5-dimethylsilyloxy-5-oxo-4-sulfopentanoic acid?
The IUPAC name of 5-dimethylsilyloxy-5-oxo-4-sulfopentanoic acid (CID 174712576) is 5-dimethylsilyloxy-5-oxo-4-sulfopentanoic acid.
What is the SMILES notation for 5-dimethylsilyloxy-5-oxo-4-sulfopentanoic acid?
The canonical SMILES for 5-dimethylsilyloxy-5-oxo-4-sulfopentanoic acid is C[SiH](C)OC(=O)C(CCC(=O)O)S(=O)(=O)O.
What is the InChIKey of 5-dimethylsilyloxy-5-oxo-4-sulfopentanoic acid?
The InChIKey is XUODZQCBCVKNLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O7SSi/c1-16(2)14-7(10)5(15(11,12)13)3-4-6(8)9/h5,16H,3-4H2,1-2H3,(H,8,9)(H,11,12,13).
What are the key properties of 5-dimethylsilyloxy-5-oxo-4-sulfopentanoic acid?
5-dimethylsilyloxy-5-oxo-4-sulfopentanoic acid has a molecular weight of 270.33 g/mol, XLogP of -0.37, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-dimethylsilyloxy-5-oxo-4-sulfopentanoic acid is sourced from PubChem (CID 174712576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).