1-(1,6-dimethylcyclohexa-2,4-dien-1-yl)sulfonylethane-1,2-diol

C10H16O4S — CID 141326929

IUPAC1-(1,6-dimethylcyclohexa-2,4-dien-1-yl)sulfonylethane-1,2-diol
SMILESCC1C=CC=CC1(C)S(=O)(=O)C(O)CO
InChIInChI=1S/C10H16O4S/c1-8-5-3-4-6-10(8,2)15(13,14)9(12)7-11/h3-6,8-9,11-12H,7H2,1-2H3
InChIKeyXRNLSVYQPJGOKE-UHFFFAOYSA-N
MW232.30 g/mol
LogP0.23
Rot. Bonds3

About 1-(1,6-dimethylcyclohexa-2,4-dien-1-yl)sulfonylethane-1,2-diol

1-(1,6-dimethylcyclohexa-2,4-dien-1-yl)sulfonylethane-1,2-diol (PubChem CID 141326929) has the molecular formula C10H16O4S and a molecular weight of 232.30 g/mol. Its IUPAC name is 1-(1,6-dimethylcyclohexa-2,4-dien-1-yl)sulfonylethane-1,2-diol.

Molecular Properties

Compound Name1-(1,6-dimethylcyclohexa-2,4-dien-1-yl)sulfonylethane-1,2-diol
PubChem CID141326929
Molecular FormulaC10H16O4S
Molecular Weight232.30 g/mol
Exact Mass232.08
IUPAC Name1-(1,6-dimethylcyclohexa-2,4-dien-1-yl)sulfonylethane-1,2-diol
SMILESCC1C=CC=CC1(C)S(=O)(=O)C(O)CO
InChIInChI=1S/C10H16O4S/c1-8-5-3-4-6-10(8,2)15(13,14)9(12)7-11/h3-6,8-9,11-12H,7H2,1-2H3
InChIKeyXRNLSVYQPJGOKE-UHFFFAOYSA-N
XLogP0.23
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.30
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(6-Fluoro-1-methylcyclohexa-2,4-dien-1-yl)sulfonylethanol
CID 140988573
2-Hydroxyethyl 1,6-dimethylcyclohexa-2,4-diene-1-sulfonate
CID 140969539
2-(1,4,6-Trimethylcyclohexa-2,4-dien-1-yl)sulfonylbutane-1,1,1-triol
CID 141226585
3-Methylsulfonylpropyl 4-methylcyclohexa-1,5-diene-1-sulfonate
CID 144813239

Frequently Asked Questions

What is the IUPAC name of 1-(1,6-dimethylcyclohexa-2,4-dien-1-yl)sulfonylethane-1,2-diol?
The IUPAC name of 1-(1,6-dimethylcyclohexa-2,4-dien-1-yl)sulfonylethane-1,2-diol (CID 141326929) is 1-(1,6-dimethylcyclohexa-2,4-dien-1-yl)sulfonylethane-1,2-diol.
What is the SMILES notation for 1-(1,6-dimethylcyclohexa-2,4-dien-1-yl)sulfonylethane-1,2-diol?
The canonical SMILES for 1-(1,6-dimethylcyclohexa-2,4-dien-1-yl)sulfonylethane-1,2-diol is CC1C=CC=CC1(C)S(=O)(=O)C(O)CO.
What is the InChIKey of 1-(1,6-dimethylcyclohexa-2,4-dien-1-yl)sulfonylethane-1,2-diol?
The InChIKey is XRNLSVYQPJGOKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O4S/c1-8-5-3-4-6-10(8,2)15(13,14)9(12)7-11/h3-6,8-9,11-12H,7H2,1-2H3.
What are the key properties of 1-(1,6-dimethylcyclohexa-2,4-dien-1-yl)sulfonylethane-1,2-diol?
1-(1,6-dimethylcyclohexa-2,4-dien-1-yl)sulfonylethane-1,2-diol has a molecular weight of 232.30 g/mol, XLogP of 0.23, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,6-dimethylcyclohexa-2,4-dien-1-yl)sulfonylethane-1,2-diol is sourced from PubChem (CID 141326929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).