2-(3-methylbutoxy)ethanesulfonyl chloride

C7H15ClO3S — CID 61483450

IUPAC2-(3-methylbutoxy)ethanesulfonyl chloride
SMILESCC(C)CCOCCS(=O)(=O)Cl
InChIInChI=1S/C7H15ClO3S/c1-7(2)3-4-11-5-6-12(8,9)10/h7H,3-6H2,1-2H3
InChIKeyXFGNHHAJIWAOAD-UHFFFAOYSA-N
MW214.71 g/mol
LogP1.62
Rot. Bonds6

About 2-(3-methylbutoxy)ethanesulfonyl chloride

2-(3-methylbutoxy)ethanesulfonyl chloride (PubChem CID 61483450) has the molecular formula C7H15ClO3S and a molecular weight of 214.71 g/mol. Its IUPAC name is 2-(3-methylbutoxy)ethanesulfonyl chloride.

Molecular Properties

Compound Name2-(3-methylbutoxy)ethanesulfonyl chloride
PubChem CID61483450
Molecular FormulaC7H15ClO3S
Molecular Weight214.71 g/mol
Exact Mass214.04
IUPAC Name2-(3-methylbutoxy)ethanesulfonyl chloride
SMILESCC(C)CCOCCS(=O)(=O)Cl
InChIInChI=1S/C7H15ClO3S/c1-7(2)3-4-11-5-6-12(8,9)10/h7H,3-6H2,1-2H3
InChIKeyXFGNHHAJIWAOAD-UHFFFAOYSA-N
XLogP1.62
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.71
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylbutoxy)ethanesulfonyl chloride?
The IUPAC name of 2-(3-methylbutoxy)ethanesulfonyl chloride (CID 61483450) is 2-(3-methylbutoxy)ethanesulfonyl chloride.
What is the SMILES notation for 2-(3-methylbutoxy)ethanesulfonyl chloride?
The canonical SMILES for 2-(3-methylbutoxy)ethanesulfonyl chloride is CC(C)CCOCCS(=O)(=O)Cl.
What is the InChIKey of 2-(3-methylbutoxy)ethanesulfonyl chloride?
The InChIKey is XFGNHHAJIWAOAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15ClO3S/c1-7(2)3-4-11-5-6-12(8,9)10/h7H,3-6H2,1-2H3.
What are the key properties of 2-(3-methylbutoxy)ethanesulfonyl chloride?
2-(3-methylbutoxy)ethanesulfonyl chloride has a molecular weight of 214.71 g/mol, XLogP of 1.62, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylbutoxy)ethanesulfonyl chloride is sourced from PubChem (CID 61483450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).