4-[2-(2-methylpropoxy)ethoxy]butane-1-sulfonyl chloride

C10H21ClO4S — CID 106450585

IUPAC4-[2-(2-methylpropoxy)ethoxy]butane-1-sulfonyl chloride
SMILESCC(C)COCCOCCCCS(=O)(=O)Cl
InChIInChI=1S/C10H21ClO4S/c1-10(2)9-15-7-6-14-5-3-4-8-16(11,12)13/h10H,3-9H2,1-2H3
InChIKeyKSNKHGUGUZJGQU-UHFFFAOYSA-N
MW272.79 g/mol
LogP2.02
Rot. Bonds10

About 4-[2-(2-methylpropoxy)ethoxy]butane-1-sulfonyl chloride

4-[2-(2-methylpropoxy)ethoxy]butane-1-sulfonyl chloride (PubChem CID 106450585) has the molecular formula C10H21ClO4S and a molecular weight of 272.79 g/mol. Its IUPAC name is 4-[2-(2-methylpropoxy)ethoxy]butane-1-sulfonyl chloride.

Molecular Properties

Compound Name4-[2-(2-methylpropoxy)ethoxy]butane-1-sulfonyl chloride
PubChem CID106450585
Molecular FormulaC10H21ClO4S
Molecular Weight272.79 g/mol
Exact Mass272.08
IUPAC Name4-[2-(2-methylpropoxy)ethoxy]butane-1-sulfonyl chloride
SMILESCC(C)COCCOCCCCS(=O)(=O)Cl
InChIInChI=1S/C10H21ClO4S/c1-10(2)9-15-7-6-14-5-3-4-8-16(11,12)13/h10H,3-9H2,1-2H3
InChIKeyKSNKHGUGUZJGQU-UHFFFAOYSA-N
XLogP2.02
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.79
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-(2-methylpentoxy)hexane-1-sulfonyl chloride
CID 103285980
2-methyl-1-[3-(2-methylpropoxy)propoxy]propane
CID 22020669
6-[2-(2-methylpropoxy)ethoxy]hexane-1-thiol
CID 106451165
3-[2-(2-methylpropoxy)ethoxy]propan-1-ol
CID 106448655
6-[2-(2-methylpropoxy)ethoxy]hexan-2-ol
CID 106448667
3-(3,3-dimethylbutoxy)propane-1-sulfonyl chloride
CID 66225754
2-chloro-N-[3-(2-methylpropoxy)propyl]ethanesulfonamide
CID 107651702
6-methyl-1-[3-(2-methylpropoxy)propoxy]heptane
CID 171593627
2-(2-cyclopropylpropoxy)ethanesulfonyl chloride
CID 165492272
4-[3-(2-methylpropoxy)propoxy]benzenesulfonyl chloride
CID 90949891
6-methyl-1-(2-methylpropoxy)heptane
CID 58371735
1-(2-methylpropoxy)tridecane
CID 91526471

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-methylpropoxy)ethoxy]butane-1-sulfonyl chloride?
The IUPAC name of 4-[2-(2-methylpropoxy)ethoxy]butane-1-sulfonyl chloride (CID 106450585) is 4-[2-(2-methylpropoxy)ethoxy]butane-1-sulfonyl chloride.
What is the SMILES notation for 4-[2-(2-methylpropoxy)ethoxy]butane-1-sulfonyl chloride?
The canonical SMILES for 4-[2-(2-methylpropoxy)ethoxy]butane-1-sulfonyl chloride is CC(C)COCCOCCCCS(=O)(=O)Cl.
What is the InChIKey of 4-[2-(2-methylpropoxy)ethoxy]butane-1-sulfonyl chloride?
The InChIKey is KSNKHGUGUZJGQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21ClO4S/c1-10(2)9-15-7-6-14-5-3-4-8-16(11,12)13/h10H,3-9H2,1-2H3.
What are the key properties of 4-[2-(2-methylpropoxy)ethoxy]butane-1-sulfonyl chloride?
4-[2-(2-methylpropoxy)ethoxy]butane-1-sulfonyl chloride has a molecular weight of 272.79 g/mol, XLogP of 2.02, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-methylpropoxy)ethoxy]butane-1-sulfonyl chloride is sourced from PubChem (CID 106450585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).