2-(2-ethylbutoxy)ethanesulfonyl chloride

C8H17ClO3S — CID 165490074

IUPAC2-(2-ethylbutoxy)ethanesulfonyl chloride
SMILESCCC(CC)COCCS(=O)(=O)Cl
InChIInChI=1S/C8H17ClO3S/c1-3-8(4-2)7-12-5-6-13(9,10)11/h8H,3-7H2,1-2H3
InChIKeyPKVUQIOUUNZFEM-UHFFFAOYSA-N
MW228.74 g/mol
LogP2.01
Rot. Bonds7

About 2-(2-ethylbutoxy)ethanesulfonyl chloride

2-(2-ethylbutoxy)ethanesulfonyl chloride (PubChem CID 165490074) has the molecular formula C8H17ClO3S and a molecular weight of 228.74 g/mol. Its IUPAC name is 2-(2-ethylbutoxy)ethanesulfonyl chloride.

Molecular Properties

Compound Name2-(2-ethylbutoxy)ethanesulfonyl chloride
PubChem CID165490074
Molecular FormulaC8H17ClO3S
Molecular Weight228.74 g/mol
Exact Mass228.06
IUPAC Name2-(2-ethylbutoxy)ethanesulfonyl chloride
SMILESCCC(CC)COCCS(=O)(=O)Cl
InChIInChI=1S/C8H17ClO3S/c1-3-8(4-2)7-12-5-6-13(9,10)11/h8H,3-7H2,1-2H3
InChIKeyPKVUQIOUUNZFEM-UHFFFAOYSA-N
XLogP2.01
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.74
LogP ≤ 52.01
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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Related Compounds

2-(2,2-difluoroethoxy)ethanesulfonyl chloride
CID 75480959
2-(3-methoxypropoxymethyl)butane-1-sulfonyl chloride
CID 64999800
2-(2-cyclopropylpropoxy)ethanesulfonyl chloride
CID 165492272
2-(2-ethylbutoxy)ethanamine
CID 82929181
2-methoxyethanesulfonyl chloride
CID 13480221
2-(3-methylbutoxymethyl)pentane-1-sulfonyl chloride
CID 65012653
2-[2-(2-methylpropoxy)ethoxymethyl]butane-1-sulfonamide
CID 106450633
4-[2-(2-methylpropoxy)ethoxy]butane-1-sulfonyl chloride
CID 106450585
1-(2-ethylbutoxy)decane
CID 22002893
6-(2-methylpentoxy)hexane-1-sulfonyl chloride
CID 103285980
(2S)-2-ethyl-4-methoxybutane-1-sulfonyl chloride
CID 98469102
2-[3-(2-methoxyethoxy)propoxymethyl]pentane-1-sulfonyl chloride
CID 103407334

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylbutoxy)ethanesulfonyl chloride?
The IUPAC name of 2-(2-ethylbutoxy)ethanesulfonyl chloride (CID 165490074) is 2-(2-ethylbutoxy)ethanesulfonyl chloride.
What is the SMILES notation for 2-(2-ethylbutoxy)ethanesulfonyl chloride?
The canonical SMILES for 2-(2-ethylbutoxy)ethanesulfonyl chloride is CCC(CC)COCCS(=O)(=O)Cl.
What is the InChIKey of 2-(2-ethylbutoxy)ethanesulfonyl chloride?
The InChIKey is PKVUQIOUUNZFEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17ClO3S/c1-3-8(4-2)7-12-5-6-13(9,10)11/h8H,3-7H2,1-2H3.
What are the key properties of 2-(2-ethylbutoxy)ethanesulfonyl chloride?
2-(2-ethylbutoxy)ethanesulfonyl chloride has a molecular weight of 228.74 g/mol, XLogP of 2.01, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylbutoxy)ethanesulfonyl chloride is sourced from PubChem (CID 165490074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).