cyclohexyl 2-(2-oxo-1,3-dioxolan-4-yl)ethanesulfonate

C11H18O6S — CID 87125759

IUPACcyclohexyl 2-(2-oxo-1,3-dioxolan-4-yl)ethanesulfonate
SMILESO=C1OCC(CCS(=O)(=O)OC2CCCCC2)O1
InChIInChI=1S/C11H18O6S/c12-11-15-8-10(16-11)6-7-18(13,14)17-9-4-2-1-3-5-9/h9-10H,1-8H2
InChIKeyBVRRSUBDLAGMKS-UHFFFAOYSA-N
MW278.33 g/mol
LogP1.59
Rot. Bonds5

About cyclohexyl 2-(2-oxo-1,3-dioxolan-4-yl)ethanesulfonate

cyclohexyl 2-(2-oxo-1,3-dioxolan-4-yl)ethanesulfonate (PubChem CID 87125759) has the molecular formula C11H18O6S and a molecular weight of 278.33 g/mol. Its IUPAC name is cyclohexyl 2-(2-oxo-1,3-dioxolan-4-yl)ethanesulfonate.

Molecular Properties

Compound Namecyclohexyl 2-(2-oxo-1,3-dioxolan-4-yl)ethanesulfonate
PubChem CID87125759
Molecular FormulaC11H18O6S
Molecular Weight278.33 g/mol
Exact Mass278.08
IUPAC Namecyclohexyl 2-(2-oxo-1,3-dioxolan-4-yl)ethanesulfonate
SMILESO=C1OCC(CCS(=O)(=O)OC2CCCCC2)O1
InChIInChI=1S/C11H18O6S/c12-11-15-8-10(16-11)6-7-18(13,14)17-9-4-2-1-3-5-9/h9-10H,1-8H2
InChIKeyBVRRSUBDLAGMKS-UHFFFAOYSA-N
XLogP1.59
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 cyclohexyl 2-(2-oxo-1,3-dioxolan-4-yl)ethanesulfonate?
The IUPAC name of cyclohexyl 2-(2-oxo-1,3-dioxolan-4-yl)ethanesulfonate (CID 87125759) is cyclohexyl 2-(2-oxo-1,3-dioxolan-4-yl)ethanesulfonate.
What is the SMILES notation for cyclohexyl 2-(2-oxo-1,3-dioxolan-4-yl)ethanesulfonate?
The canonical SMILES for cyclohexyl 2-(2-oxo-1,3-dioxolan-4-yl)ethanesulfonate is O=C1OCC(CCS(=O)(=O)OC2CCCCC2)O1.
What is the InChIKey of cyclohexyl 2-(2-oxo-1,3-dioxolan-4-yl)ethanesulfonate?
The InChIKey is BVRRSUBDLAGMKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O6S/c12-11-15-8-10(16-11)6-7-18(13,14)17-9-4-2-1-3-5-9/h9-10H,1-8H2.
What are the key properties of cyclohexyl 2-(2-oxo-1,3-dioxolan-4-yl)ethanesulfonate?
cyclohexyl 2-(2-oxo-1,3-dioxolan-4-yl)ethanesulfonate has a molecular weight of 278.33 g/mol, XLogP of 1.59, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl 2-(2-oxo-1,3-dioxolan-4-yl)ethanesulfonate is sourced from PubChem (CID 87125759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).