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

C10H16O6S — CID 87125606

IUPACcyclohexyl (2-oxo-1,3-dioxolan-4-yl)methanesulfonate
SMILESO=C1OCC(CS(=O)(=O)OC2CCCCC2)O1
InChIInChI=1S/C10H16O6S/c11-10-14-6-9(15-10)7-17(12,13)16-8-4-2-1-3-5-8/h8-9H,1-7H2
InChIKeyBPILXJMKVNQOLV-UHFFFAOYSA-N
MW264.30 g/mol
LogP1.20
Rot. Bonds4

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

cyclohexyl (2-oxo-1,3-dioxolan-4-yl)methanesulfonate (PubChem CID 87125606) has the molecular formula C10H16O6S and a molecular weight of 264.30 g/mol. Its IUPAC name is cyclohexyl (2-oxo-1,3-dioxolan-4-yl)methanesulfonate.

Molecular Properties

Compound Namecyclohexyl (2-oxo-1,3-dioxolan-4-yl)methanesulfonate
PubChem CID87125606
Molecular FormulaC10H16O6S
Molecular Weight264.30 g/mol
Exact Mass264.07
IUPAC Namecyclohexyl (2-oxo-1,3-dioxolan-4-yl)methanesulfonate
SMILESO=C1OCC(CS(=O)(=O)OC2CCCCC2)O1
InChIInChI=1S/C10H16O6S/c11-10-14-6-9(15-10)7-17(12,13)16-8-4-2-1-3-5-8/h8-9H,1-7H2
InChIKeyBPILXJMKVNQOLV-UHFFFAOYSA-N
XLogP1.20
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 51.20
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-oxo-1,3-dioxolan-4-yl)methanesulfonate?
The IUPAC name of cyclohexyl (2-oxo-1,3-dioxolan-4-yl)methanesulfonate (CID 87125606) is cyclohexyl (2-oxo-1,3-dioxolan-4-yl)methanesulfonate.
What is the SMILES notation for cyclohexyl (2-oxo-1,3-dioxolan-4-yl)methanesulfonate?
The canonical SMILES for cyclohexyl (2-oxo-1,3-dioxolan-4-yl)methanesulfonate is O=C1OCC(CS(=O)(=O)OC2CCCCC2)O1.
What is the InChIKey of cyclohexyl (2-oxo-1,3-dioxolan-4-yl)methanesulfonate?
The InChIKey is BPILXJMKVNQOLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O6S/c11-10-14-6-9(15-10)7-17(12,13)16-8-4-2-1-3-5-8/h8-9H,1-7H2.
What are the key properties of cyclohexyl (2-oxo-1,3-dioxolan-4-yl)methanesulfonate?
cyclohexyl (2-oxo-1,3-dioxolan-4-yl)methanesulfonate has a molecular weight of 264.30 g/mol, XLogP of 1.20, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl (2-oxo-1,3-dioxolan-4-yl)methanesulfonate is sourced from PubChem (CID 87125606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).