2-[2-[2-[2-[2-(6-chlorohexoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl methanesulfonate

C17H35ClO8S — CID 155982389

IUPAC2-[2-[2-[2-[2-(6-chlorohexoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl methanesulfonate
SMILESCS(=O)(=O)OCCOCCOCCOCCOCCOCCCCCCCl
InChIInChI=1S/C17H35ClO8S/c1-27(19,20)26-17-16-25-15-14-24-13-12-23-11-10-22-9-8-21-7-5-3-2-4-6-18/h2-17H2,1H3
InChIKeyITXRWELGCTVMPC-UHFFFAOYSA-N
MW434.98 g/mol
LogP1.84
Rot. Bonds22

About 2-[2-[2-[2-[2-(6-chlorohexoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl methanesulfonate

2-[2-[2-[2-[2-(6-chlorohexoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl methanesulfonate (PubChem CID 155982389) has the molecular formula C17H35ClO8S and a molecular weight of 434.98 g/mol. Its IUPAC name is 2-[2-[2-[2-[2-(6-chlorohexoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl methanesulfonate.

Molecular Properties

Compound Name2-[2-[2-[2-[2-(6-chlorohexoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl methanesulfonate
PubChem CID155982389
Molecular FormulaC17H35ClO8S
Molecular Weight434.98 g/mol
Exact Mass434.17
IUPAC Name2-[2-[2-[2-[2-(6-chlorohexoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl methanesulfonate
SMILESCS(=O)(=O)OCCOCCOCCOCCOCCOCCCCCCCl
InChIInChI=1S/C17H35ClO8S/c1-27(19,20)26-17-16-25-15-14-24-13-12-23-11-10-22-9-8-21-7-5-3-2-4-6-18/h2-17H2,1H3
InChIKeyITXRWELGCTVMPC-UHFFFAOYSA-N
XLogP1.84
TPSA89.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds22
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.98
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Related Compounds

2-(2-hexadecoxyethoxy)ethyl methanesulfonate
CID 174987628
2-[(Z)-octadec-9-enoxy]ethyl methanesulfonate
CID 118057476
1-chloro-6-[2-(2-chloroethoxy)ethoxy]hexane
CID 176729124
8-ethoxyoctyl methanesulfonate
CID 139711328
2-(2-methoxyethoxy)ethyl methanesulfonate
CID 3815654
1-chloro-5-(2-methoxyethoxy)pentane
CID 43348436
1-chloro-6-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]hexane
CID 89239780
2-[2-(5-phenylmethoxypentoxy)ethoxy]ethyl methanesulfonate
CID 151732579
chromium;4-methylsulfonyloxybutyl methanesulfonate
CID 174784786
1-(5-chloropentoxy)octane
CID 43348463
2-[2-[2-[2-(6-chlorohexoxy)ethoxy]ethoxy]ethoxy]ethanamine;chloromethane
CID 170630324
2-[2-[2-(methoxymethoxy)ethoxy]ethoxy]ethyl methanesulfonate
CID 172605839

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-[2-(6-chlorohexoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl methanesulfonate?
The IUPAC name of 2-[2-[2-[2-[2-(6-chlorohexoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl methanesulfonate (CID 155982389) is 2-[2-[2-[2-[2-(6-chlorohexoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl methanesulfonate.
What is the SMILES notation for 2-[2-[2-[2-[2-(6-chlorohexoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl methanesulfonate?
The canonical SMILES for 2-[2-[2-[2-[2-(6-chlorohexoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl methanesulfonate is CS(=O)(=O)OCCOCCOCCOCCOCCOCCCCCCCl.
What is the InChIKey of 2-[2-[2-[2-[2-(6-chlorohexoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl methanesulfonate?
The InChIKey is ITXRWELGCTVMPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35ClO8S/c1-27(19,20)26-17-16-25-15-14-24-13-12-23-11-10-22-9-8-21-7-5-3-2-4-6-18/h2-17H2,1H3.
What are the key properties of 2-[2-[2-[2-[2-(6-chlorohexoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl methanesulfonate?
2-[2-[2-[2-[2-(6-chlorohexoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl methanesulfonate has a molecular weight of 434.98 g/mol, XLogP of 1.84, 22 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-[2-(6-chlorohexoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl methanesulfonate is sourced from PubChem (CID 155982389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).