2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl methanesulfonate

C8H16O5S — CID 86615867

IUPAC2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl methanesulfonate
SMILESCC1(C)OC[C@@H](CCOS(C)(=O)=O)O1
InChIInChI=1S/C8H16O5S/c1-8(2)11-6-7(13-8)4-5-12-14(3,9)10/h7H,4-6H2,1-3H3/t7-/m1/s1
InChIKeyKKVXLUZVSZTIQJ-SSDOTTSWSA-N
MW224.28 g/mol
LogP0.50
Rot. Bonds4

About 2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl methanesulfonate

2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl methanesulfonate (PubChem CID 86615867) has the molecular formula C8H16O5S and a molecular weight of 224.28 g/mol. Its IUPAC name is 2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl methanesulfonate.

Molecular Properties

Compound Name2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl methanesulfonate
PubChem CID86615867
Molecular FormulaC8H16O5S
Molecular Weight224.28 g/mol
Exact Mass224.07
IUPAC Name2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl methanesulfonate
SMILESCC1(C)OC[C@@H](CCOS(C)(=O)=O)O1
InChIInChI=1S/C8H16O5S/c1-8(2)11-6-7(13-8)4-5-12-14(3,9)10/h7H,4-6H2,1-3H3/t7-/m1/s1
InChIKeyKKVXLUZVSZTIQJ-SSDOTTSWSA-N
XLogP0.50
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 50.50
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-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl methanesulfonate?
The IUPAC name of 2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl methanesulfonate (CID 86615867) is 2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl methanesulfonate.
What is the SMILES notation for 2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl methanesulfonate?
The canonical SMILES for 2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl methanesulfonate is CC1(C)OC[C@@H](CCOS(C)(=O)=O)O1.
What is the InChIKey of 2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl methanesulfonate?
The InChIKey is KKVXLUZVSZTIQJ-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H16O5S/c1-8(2)11-6-7(13-8)4-5-12-14(3,9)10/h7H,4-6H2,1-3H3/t7-/m1/s1.
What are the key properties of 2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl methanesulfonate?
2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl methanesulfonate has a molecular weight of 224.28 g/mol, XLogP of 0.50, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl methanesulfonate is sourced from PubChem (CID 86615867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).