2-[2-[2-[2-[2-[2-[2-[2-(2-methylsulfanylethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl formate

C20H40O10S — CID 155761991

IUPAC2-[2-[2-[2-[2-[2-[2-[2-(2-methylsulfanylethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl formate
SMILESCSCCOCCOCCOCCOCCOCCOCCOCCOCCOC=O
InChIInChI=1S/C20H40O10S/c1-31-19-18-29-15-14-27-11-10-25-7-6-23-3-2-22-4-5-24-8-9-26-12-13-28-16-17-30-20-21/h20H,2-19H2,1H3
InChIKeyDHCMTQURNAOBEC-UHFFFAOYSA-N
MW472.60 g/mol
LogP0.66
Rot. Bonds28

About 2-[2-[2-[2-[2-[2-[2-[2-(2-methylsulfanylethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl formate

2-[2-[2-[2-[2-[2-[2-[2-(2-methylsulfanylethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl formate (PubChem CID 155761991) has the molecular formula C20H40O10S and a molecular weight of 472.60 g/mol. Its IUPAC name is 2-[2-[2-[2-[2-[2-[2-[2-(2-methylsulfanylethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl formate.

Molecular Properties

Compound Name2-[2-[2-[2-[2-[2-[2-[2-(2-methylsulfanylethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl formate
PubChem CID155761991
Molecular FormulaC20H40O10S
Molecular Weight472.60 g/mol
Exact Mass472.23
IUPAC Name2-[2-[2-[2-[2-[2-[2-[2-(2-methylsulfanylethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl formate
SMILESCSCCOCCOCCOCCOCCOCCOCCOCCOCCOC=O
InChIInChI=1S/C20H40O10S/c1-31-19-18-29-15-14-27-11-10-25-7-6-23-3-2-22-4-5-24-8-9-26-12-13-28-16-17-30-20-21/h20H,2-19H2,1H3
InChIKeyDHCMTQURNAOBEC-UHFFFAOYSA-N
XLogP0.66
TPSA100.14 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds28
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.60
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

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Related Compounds

2-(2-hydroxyethoxy)ethyl formate
CID 23448310
2-(formyloxymethoxy)ethyl formate
CID 57242622
sodium;2-(2,2-dimethylpropoxy)ethyl formate;hydride
CID 174603299
2-(2-methylsulfanylethoxy)ethanamine
CID 57125874
2-[2-(2-butan-2-yloxyethoxy)ethoxy]ethyl formate
CID 139655550
acetaldehyde;ethane;N-methyl-2-[2-[2-[2-[2-(2-methylsulfanylethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanamine;propanal
CID 142541837
1-methylsulfanyl-2-(methylsulfanylmethoxy)ethane
CID 167220707
3-(2-methylsulfanylethoxy)propanoic acid
CID 127003779
13-(2-methoxyethoxy)tridecyl formate
CID 87852732
1-methylsulfanyl-3-[2-[2-[2-[3-[2-[2-[2-(3-methylsulfanylpropylsulfanyl)ethoxy]ethoxy]ethylsulfanyl]propylsulfanyl]ethoxy]ethoxy]ethylsulfanyl]propane
CID 23516617
1-(2-methylsulfanylethoxy)hexane
CID 104863791
(3-formyloxy-4-methylsulfanylbutyl) formate
CID 167494264

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-[2-[2-[2-[2-(2-methylsulfanylethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl formate?
The IUPAC name of 2-[2-[2-[2-[2-[2-[2-[2-(2-methylsulfanylethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl formate (CID 155761991) is 2-[2-[2-[2-[2-[2-[2-[2-(2-methylsulfanylethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl formate.
What is the SMILES notation for 2-[2-[2-[2-[2-[2-[2-[2-(2-methylsulfanylethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl formate?
The canonical SMILES for 2-[2-[2-[2-[2-[2-[2-[2-(2-methylsulfanylethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl formate is CSCCOCCOCCOCCOCCOCCOCCOCCOCCOC=O.
What is the InChIKey of 2-[2-[2-[2-[2-[2-[2-[2-(2-methylsulfanylethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl formate?
The InChIKey is DHCMTQURNAOBEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40O10S/c1-31-19-18-29-15-14-27-11-10-25-7-6-23-3-2-22-4-5-24-8-9-26-12-13-28-16-17-30-20-21/h20H,2-19H2,1H3.
What are the key properties of 2-[2-[2-[2-[2-[2-[2-[2-(2-methylsulfanylethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl formate?
2-[2-[2-[2-[2-[2-[2-[2-(2-methylsulfanylethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl formate has a molecular weight of 472.60 g/mol, XLogP of 0.66, 28 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-[2-[2-[2-[2-(2-methylsulfanylethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl formate is sourced from PubChem (CID 155761991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).