2-methoxysulfonylethyl cyclohexanecarboxylate

C10H18O5S — CID 88981060

IUPAC2-methoxysulfonylethyl cyclohexanecarboxylate
SMILESCOS(=O)(=O)CCOC(=O)C1CCCCC1
InChIInChI=1S/C10H18O5S/c1-14-16(12,13)8-7-15-10(11)9-5-3-2-4-6-9/h9H,2-8H2,1H3
InChIKeyWSUHAYYPOAULIR-UHFFFAOYSA-N
MW250.32 g/mol
LogP1.09
Rot. Bonds5

About 2-methoxysulfonylethyl cyclohexanecarboxylate

2-methoxysulfonylethyl cyclohexanecarboxylate (PubChem CID 88981060) has the molecular formula C10H18O5S and a molecular weight of 250.32 g/mol. Its IUPAC name is 2-methoxysulfonylethyl cyclohexanecarboxylate.

Molecular Properties

Compound Name2-methoxysulfonylethyl cyclohexanecarboxylate
PubChem CID88981060
Molecular FormulaC10H18O5S
Molecular Weight250.32 g/mol
Exact Mass250.09
IUPAC Name2-methoxysulfonylethyl cyclohexanecarboxylate
SMILESCOS(=O)(=O)CCOC(=O)C1CCCCC1
InChIInChI=1S/C10H18O5S/c1-14-16(12,13)8-7-15-10(11)9-5-3-2-4-6-9/h9H,2-8H2,1H3
InChIKeyWSUHAYYPOAULIR-UHFFFAOYSA-N
XLogP1.09
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methoxysulfonylethyl cyclohexanecarboxylate?
The IUPAC name of 2-methoxysulfonylethyl cyclohexanecarboxylate (CID 88981060) is 2-methoxysulfonylethyl cyclohexanecarboxylate.
What is the SMILES notation for 2-methoxysulfonylethyl cyclohexanecarboxylate?
The canonical SMILES for 2-methoxysulfonylethyl cyclohexanecarboxylate is COS(=O)(=O)CCOC(=O)C1CCCCC1.
What is the InChIKey of 2-methoxysulfonylethyl cyclohexanecarboxylate?
The InChIKey is WSUHAYYPOAULIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O5S/c1-14-16(12,13)8-7-15-10(11)9-5-3-2-4-6-9/h9H,2-8H2,1H3.
What are the key properties of 2-methoxysulfonylethyl cyclohexanecarboxylate?
2-methoxysulfonylethyl cyclohexanecarboxylate has a molecular weight of 250.32 g/mol, XLogP of 1.09, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxysulfonylethyl cyclohexanecarboxylate is sourced from PubChem (CID 88981060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).