2-[2-[2-(methoxymethoxy)ethoxy]ethoxy]ethyl methanesulfonate

C9H20O7S — CID 172605839

IUPAC2-[2-[2-(methoxymethoxy)ethoxy]ethoxy]ethyl methanesulfonate
SMILESCOCOCCOCCOCCOS(C)(=O)=O
InChIInChI=1S/C9H20O7S/c1-12-9-15-6-5-13-3-4-14-7-8-16-17(2,10)11/h3-9H2,1-2H3
InChIKeyJNNCPZWNDKMQJB-UHFFFAOYSA-N
MW272.32 g/mol
LogP-0.38
Rot. Bonds12

About 2-[2-[2-(methoxymethoxy)ethoxy]ethoxy]ethyl methanesulfonate

2-[2-[2-(methoxymethoxy)ethoxy]ethoxy]ethyl methanesulfonate (PubChem CID 172605839) has the molecular formula C9H20O7S and a molecular weight of 272.32 g/mol. Its IUPAC name is 2-[2-[2-(methoxymethoxy)ethoxy]ethoxy]ethyl methanesulfonate.

Molecular Properties

Compound Name2-[2-[2-(methoxymethoxy)ethoxy]ethoxy]ethyl methanesulfonate
PubChem CID172605839
Molecular FormulaC9H20O7S
Molecular Weight272.32 g/mol
Exact Mass272.09
IUPAC Name2-[2-[2-(methoxymethoxy)ethoxy]ethoxy]ethyl methanesulfonate
SMILESCOCOCCOCCOCCOS(C)(=O)=O
InChIInChI=1S/C9H20O7S/c1-12-9-15-6-5-13-3-4-14-7-8-16-17(2,10)11/h3-9H2,1-2H3
InChIKeyJNNCPZWNDKMQJB-UHFFFAOYSA-N
XLogP-0.38
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.32
LogP ≤ 5-0.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Related Compounds

2-(2-methoxyethoxy)ethyl methanesulfonate
CID 3815654
2-(2-hexadecoxyethoxy)ethyl methanesulfonate
CID 174987628
3-methoxypropyl methanesulfonate
CID 11693963
2-[2-[2-[2-[2-(6-chlorohexoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl methanesulfonate
CID 155982389
bis[4-(methoxymethoxy)butyl] sulfate
CID 139845452
2-[2-(2-azidoethoxy)ethoxy]ethyl methanesulfonate
CID 11265269
2-[3-(3-methoxy-3-methylpentoxy)-3-methylpentoxy]ethyl methanesulfonate
CID 123590597
2-[(2-methylpropan-2-yl)oxy]ethyl methanesulfonate
CID 18464924
2-[5-[2-(methoxymethoxy)ethyl]-2-pyridinyl]ethyl methanesulfonate
CID 135153583
methyl-[2-[2-[2-(2-methylsulfonothioyloxyethoxy)ethoxy]ethoxy]ethoxy]-oxo-sulfanylidene-λ6-sulfane
CID 22174344
2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl hydrogen sulfate
CID 21045111
2-[2-(2-methoxyethoxy)ethoxy]ethyl hydrogen sulfate
CID 59816255

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(methoxymethoxy)ethoxy]ethoxy]ethyl methanesulfonate?
The IUPAC name of 2-[2-[2-(methoxymethoxy)ethoxy]ethoxy]ethyl methanesulfonate (CID 172605839) is 2-[2-[2-(methoxymethoxy)ethoxy]ethoxy]ethyl methanesulfonate.
What is the SMILES notation for 2-[2-[2-(methoxymethoxy)ethoxy]ethoxy]ethyl methanesulfonate?
The canonical SMILES for 2-[2-[2-(methoxymethoxy)ethoxy]ethoxy]ethyl methanesulfonate is COCOCCOCCOCCOS(C)(=O)=O.
What is the InChIKey of 2-[2-[2-(methoxymethoxy)ethoxy]ethoxy]ethyl methanesulfonate?
The InChIKey is JNNCPZWNDKMQJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O7S/c1-12-9-15-6-5-13-3-4-14-7-8-16-17(2,10)11/h3-9H2,1-2H3.
What are the key properties of 2-[2-[2-(methoxymethoxy)ethoxy]ethoxy]ethyl methanesulfonate?
2-[2-[2-(methoxymethoxy)ethoxy]ethoxy]ethyl methanesulfonate has a molecular weight of 272.32 g/mol, XLogP of -0.38, 12 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(methoxymethoxy)ethoxy]ethoxy]ethyl methanesulfonate is sourced from PubChem (CID 172605839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).