2-propan-2-yloxyethanesulfonyl chloride

C5H11ClO3S — CID 56828872

IUPAC2-propan-2-yloxyethanesulfonyl chloride
SMILESCC(C)OCCS(=O)(=O)Cl
InChIInChI=1S/C5H11ClO3S/c1-5(2)9-3-4-10(6,7)8/h5H,3-4H2,1-2H3
InChIKeyMQUXPIRDIANXNY-UHFFFAOYSA-N
MW186.66 g/mol
LogP0.98
Rot. Bonds4

About 2-propan-2-yloxyethanesulfonyl chloride

2-propan-2-yloxyethanesulfonyl chloride (PubChem CID 56828872) has the molecular formula C5H11ClO3S and a molecular weight of 186.66 g/mol. Its IUPAC name is 2-propan-2-yloxyethanesulfonyl chloride.

Molecular Properties

Compound Name2-propan-2-yloxyethanesulfonyl chloride
PubChem CID56828872
Molecular FormulaC5H11ClO3S
Molecular Weight186.66 g/mol
Exact Mass186.01
IUPAC Name2-propan-2-yloxyethanesulfonyl chloride
SMILESCC(C)OCCS(=O)(=O)Cl
InChIInChI=1S/C5H11ClO3S/c1-5(2)9-3-4-10(6,7)8/h5H,3-4H2,1-2H3
InChIKeyMQUXPIRDIANXNY-UHFFFAOYSA-N
XLogP0.98
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.66
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yloxyethanesulfonyl chloride?
The IUPAC name of 2-propan-2-yloxyethanesulfonyl chloride (CID 56828872) is 2-propan-2-yloxyethanesulfonyl chloride.
What is the SMILES notation for 2-propan-2-yloxyethanesulfonyl chloride?
The canonical SMILES for 2-propan-2-yloxyethanesulfonyl chloride is CC(C)OCCS(=O)(=O)Cl.
What is the InChIKey of 2-propan-2-yloxyethanesulfonyl chloride?
The InChIKey is MQUXPIRDIANXNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11ClO3S/c1-5(2)9-3-4-10(6,7)8/h5H,3-4H2,1-2H3.
What are the key properties of 2-propan-2-yloxyethanesulfonyl chloride?
2-propan-2-yloxyethanesulfonyl chloride has a molecular weight of 186.66 g/mol, XLogP of 0.98, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yloxyethanesulfonyl chloride is sourced from PubChem (CID 56828872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).