2-[2-(3-methoxy-3-methylbutoxy)ethoxy]ethanesulfonyl chloride

C10H21ClO5S — CID 106668468

IUPAC2-[2-(3-methoxy-3-methylbutoxy)ethoxy]ethanesulfonyl chloride
SMILESCOC(C)(C)CCOCCOCCS(=O)(=O)Cl
InChIInChI=1S/C10H21ClO5S/c1-10(2,14-3)4-5-15-6-7-16-8-9-17(11,12)13/h4-9H2,1-3H3
InChIKeyYXAAWOMHTDNRMV-UHFFFAOYSA-N
MW288.79 g/mol
LogP1.40
Rot. Bonds10

About 2-[2-(3-methoxy-3-methylbutoxy)ethoxy]ethanesulfonyl chloride

2-[2-(3-methoxy-3-methylbutoxy)ethoxy]ethanesulfonyl chloride (PubChem CID 106668468) has the molecular formula C10H21ClO5S and a molecular weight of 288.79 g/mol. Its IUPAC name is 2-[2-(3-methoxy-3-methylbutoxy)ethoxy]ethanesulfonyl chloride.

Molecular Properties

Compound Name2-[2-(3-methoxy-3-methylbutoxy)ethoxy]ethanesulfonyl chloride
PubChem CID106668468
Molecular FormulaC10H21ClO5S
Molecular Weight288.79 g/mol
Exact Mass288.08
IUPAC Name2-[2-(3-methoxy-3-methylbutoxy)ethoxy]ethanesulfonyl chloride
SMILESCOC(C)(C)CCOCCOCCS(=O)(=O)Cl
InChIInChI=1S/C10H21ClO5S/c1-10(2,14-3)4-5-15-6-7-16-8-9-17(11,12)13/h4-9H2,1-3H3
InChIKeyYXAAWOMHTDNRMV-UHFFFAOYSA-N
XLogP1.40
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.79
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(3-Methoxyoxolan-3-yl)methanesulfonyl chloride
CID 105468163
(3-Ethoxyoxolan-3-yl)methanesulfonyl chloride
CID 105486078
(3-(Propan-2-yloxy)oxolan-3-yl)methanesulfonyl chloride
CID 122163191
(2,6,6-Trimethyl-1,4-dioxan-2-yl)methanesulfonyl chloride
CID 155970647
3-[2-(Tert-butoxy)ethoxy]propane-1-sulfonyl fluoride
CID 165478665
2-[2-(Tert-butoxy)ethoxy]ethane-1-sulfonyl fluoride
CID 165955847
Tert-butyl 2-[2-(2-methoxyethoxy)ethoxy]ethanesulfonate
CID 58408706
Tert-butyl 2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethanesulfonate
CID 58408813
Tert-butyl 5-(2-methoxyethoxy)pentane-1-sulfonate
CID 58408956
3-(2-Methoxypropoxy)-2-(2-methoxypropoxymethyl)propane-1-sulfonate
CID 59892868
2-[2-(2-Butoxyethoxy)ethoxy]ethane-1-sulfonyl chloride
CID 64200840
[3-(2-Methoxyethoxy)-3-methylbutyl] methanesulfonate
CID 88558656

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-methoxy-3-methylbutoxy)ethoxy]ethanesulfonyl chloride?
The IUPAC name of 2-[2-(3-methoxy-3-methylbutoxy)ethoxy]ethanesulfonyl chloride (CID 106668468) is 2-[2-(3-methoxy-3-methylbutoxy)ethoxy]ethanesulfonyl chloride.
What is the SMILES notation for 2-[2-(3-methoxy-3-methylbutoxy)ethoxy]ethanesulfonyl chloride?
The canonical SMILES for 2-[2-(3-methoxy-3-methylbutoxy)ethoxy]ethanesulfonyl chloride is COC(C)(C)CCOCCOCCS(=O)(=O)Cl.
What is the InChIKey of 2-[2-(3-methoxy-3-methylbutoxy)ethoxy]ethanesulfonyl chloride?
The InChIKey is YXAAWOMHTDNRMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21ClO5S/c1-10(2,14-3)4-5-15-6-7-16-8-9-17(11,12)13/h4-9H2,1-3H3.
What are the key properties of 2-[2-(3-methoxy-3-methylbutoxy)ethoxy]ethanesulfonyl chloride?
2-[2-(3-methoxy-3-methylbutoxy)ethoxy]ethanesulfonyl chloride has a molecular weight of 288.79 g/mol, XLogP of 1.40, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-methoxy-3-methylbutoxy)ethoxy]ethanesulfonyl chloride is sourced from PubChem (CID 106668468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).