2-(4-methoxycyclohexyl)sulfonyl-2-methylpropanoic acid

C11H20O5S — CID 59253288

IUPAC2-(4-methoxycyclohexyl)sulfonyl-2-methylpropanoic acid
SMILESCOC1CCC(S(=O)(=O)C(C)(C)C(=O)O)CC1
InChIInChI=1S/C11H20O5S/c1-11(2,10(12)13)17(14,15)9-6-4-8(16-3)5-7-9/h8-9H,4-7H2,1-3H3,(H,12,13)
InChIKeyOLVMCEBHKDDQAE-UHFFFAOYSA-N
MW264.34 g/mol
LogP1.22
Rot. Bonds4

About 2-(4-methoxycyclohexyl)sulfonyl-2-methylpropanoic acid

2-(4-methoxycyclohexyl)sulfonyl-2-methylpropanoic acid (PubChem CID 59253288) has the molecular formula C11H20O5S and a molecular weight of 264.34 g/mol. Its IUPAC name is 2-(4-methoxycyclohexyl)sulfonyl-2-methylpropanoic acid.

Molecular Properties

Compound Name2-(4-methoxycyclohexyl)sulfonyl-2-methylpropanoic acid
PubChem CID59253288
Molecular FormulaC11H20O5S
Molecular Weight264.34 g/mol
Exact Mass264.10
IUPAC Name2-(4-methoxycyclohexyl)sulfonyl-2-methylpropanoic acid
SMILESCOC1CCC(S(=O)(=O)C(C)(C)C(=O)O)CC1
InChIInChI=1S/C11H20O5S/c1-11(2,10(12)13)17(14,15)9-6-4-8(16-3)5-7-9/h8-9H,4-7H2,1-3H3,(H,12,13)
InChIKeyOLVMCEBHKDDQAE-UHFFFAOYSA-N
XLogP1.22
TPSA80.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.34
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxycyclohexyl)sulfonyl-2-methylpropanoic acid?
The IUPAC name of 2-(4-methoxycyclohexyl)sulfonyl-2-methylpropanoic acid (CID 59253288) is 2-(4-methoxycyclohexyl)sulfonyl-2-methylpropanoic acid.
What is the SMILES notation for 2-(4-methoxycyclohexyl)sulfonyl-2-methylpropanoic acid?
The canonical SMILES for 2-(4-methoxycyclohexyl)sulfonyl-2-methylpropanoic acid is COC1CCC(S(=O)(=O)C(C)(C)C(=O)O)CC1.
What is the InChIKey of 2-(4-methoxycyclohexyl)sulfonyl-2-methylpropanoic acid?
The InChIKey is OLVMCEBHKDDQAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O5S/c1-11(2,10(12)13)17(14,15)9-6-4-8(16-3)5-7-9/h8-9H,4-7H2,1-3H3,(H,12,13).
What are the key properties of 2-(4-methoxycyclohexyl)sulfonyl-2-methylpropanoic acid?
2-(4-methoxycyclohexyl)sulfonyl-2-methylpropanoic acid has a molecular weight of 264.34 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxycyclohexyl)sulfonyl-2-methylpropanoic acid is sourced from PubChem (CID 59253288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).