2-hydroxy-5-[2-(2-silyloxan-2-yl)ethyl]cyclohexane-1-sulfonic acid

C13H26O5SSi — CID 123989792

IUPAC2-hydroxy-5-[2-(2-silyloxan-2-yl)ethyl]cyclohexane-1-sulfonic acid
SMILESO=S(=O)(O)C1CC(CCC2([SiH3])CCCCO2)CCC1O
InChIInChI=1S/C13H26O5SSi/c14-11-4-3-10(9-12(11)19(15,16)17)5-7-13(20)6-1-2-8-18-13/h10-12,14H,1-9H2,20H3,(H,15,16,17)
InChIKeySHTCJVAKZQHVPQ-UHFFFAOYSA-N
MW322.50 g/mol
LogP0.45
Rot. Bonds4

About 2-hydroxy-5-[2-(2-silyloxan-2-yl)ethyl]cyclohexane-1-sulfonic acid

2-hydroxy-5-[2-(2-silyloxan-2-yl)ethyl]cyclohexane-1-sulfonic acid (PubChem CID 123989792) has the molecular formula C13H26O5SSi and a molecular weight of 322.50 g/mol. Its IUPAC name is 2-hydroxy-5-[2-(2-silyloxan-2-yl)ethyl]cyclohexane-1-sulfonic acid.

Molecular Properties

Compound Name2-hydroxy-5-[2-(2-silyloxan-2-yl)ethyl]cyclohexane-1-sulfonic acid
PubChem CID123989792
Molecular FormulaC13H26O5SSi
Molecular Weight322.50 g/mol
Exact Mass322.13
IUPAC Name2-hydroxy-5-[2-(2-silyloxan-2-yl)ethyl]cyclohexane-1-sulfonic acid
SMILESO=S(=O)(O)C1CC(CCC2([SiH3])CCCCO2)CCC1O
InChIInChI=1S/C13H26O5SSi/c14-11-4-3-10(9-12(11)19(15,16)17)5-7-13(20)6-1-2-8-18-13/h10-12,14H,1-9H2,20H3,(H,15,16,17)
InChIKeySHTCJVAKZQHVPQ-UHFFFAOYSA-N
XLogP0.45
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.50
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-[2-(2-silyloxan-2-yl)ethyl]cyclohexane-1-sulfonic acid?
The IUPAC name of 2-hydroxy-5-[2-(2-silyloxan-2-yl)ethyl]cyclohexane-1-sulfonic acid (CID 123989792) is 2-hydroxy-5-[2-(2-silyloxan-2-yl)ethyl]cyclohexane-1-sulfonic acid.
What is the SMILES notation for 2-hydroxy-5-[2-(2-silyloxan-2-yl)ethyl]cyclohexane-1-sulfonic acid?
The canonical SMILES for 2-hydroxy-5-[2-(2-silyloxan-2-yl)ethyl]cyclohexane-1-sulfonic acid is O=S(=O)(O)C1CC(CCC2([SiH3])CCCCO2)CCC1O.
What is the InChIKey of 2-hydroxy-5-[2-(2-silyloxan-2-yl)ethyl]cyclohexane-1-sulfonic acid?
The InChIKey is SHTCJVAKZQHVPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O5SSi/c14-11-4-3-10(9-12(11)19(15,16)17)5-7-13(20)6-1-2-8-18-13/h10-12,14H,1-9H2,20H3,(H,15,16,17).
What are the key properties of 2-hydroxy-5-[2-(2-silyloxan-2-yl)ethyl]cyclohexane-1-sulfonic acid?
2-hydroxy-5-[2-(2-silyloxan-2-yl)ethyl]cyclohexane-1-sulfonic acid has a molecular weight of 322.50 g/mol, XLogP of 0.45, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-[2-(2-silyloxan-2-yl)ethyl]cyclohexane-1-sulfonic acid is sourced from PubChem (CID 123989792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).