2-[2-[2-[2-(2-ethenoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl 3-sulfanylpropanoate

C15H28O7S — CID 156783976

IUPAC2-[2-[2-[2-(2-ethenoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl 3-sulfanylpropanoate
SMILESC=COCCOCCOCCOCCOCCOC(=O)CCS
InChIInChI=1S/C15H28O7S/c1-2-17-4-5-18-6-7-19-8-9-20-10-11-21-12-13-22-15(16)3-14-23/h2,23H,1,3-14H2
InChIKeyPESGXNAWIKOVTP-UHFFFAOYSA-N
MW352.45 g/mol
LogP1.08
Rot. Bonds18

About 2-[2-[2-[2-(2-ethenoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl 3-sulfanylpropanoate

2-[2-[2-[2-(2-ethenoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl 3-sulfanylpropanoate (PubChem CID 156783976) has the molecular formula C15H28O7S and a molecular weight of 352.45 g/mol. Its IUPAC name is 2-[2-[2-[2-(2-ethenoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl 3-sulfanylpropanoate.

Molecular Properties

Compound Name2-[2-[2-[2-(2-ethenoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl 3-sulfanylpropanoate
PubChem CID156783976
Molecular FormulaC15H28O7S
Molecular Weight352.45 g/mol
Exact Mass352.16
IUPAC Name2-[2-[2-[2-(2-ethenoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl 3-sulfanylpropanoate
SMILESC=COCCOCCOCCOCCOCCOC(=O)CCS
InChIInChI=1S/C15H28O7S/c1-2-17-4-5-18-6-7-19-8-9-20-10-11-21-12-13-22-15(16)3-14-23/h2,23H,1,3-14H2
InChIKeyPESGXNAWIKOVTP-UHFFFAOYSA-N
XLogP1.08
TPSA72.45 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds18
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.45
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-(2-ethenoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl 3-sulfanylpropanoate?
The IUPAC name of 2-[2-[2-[2-(2-ethenoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl 3-sulfanylpropanoate (CID 156783976) is 2-[2-[2-[2-(2-ethenoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl 3-sulfanylpropanoate.
What is the SMILES notation for 2-[2-[2-[2-(2-ethenoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl 3-sulfanylpropanoate?
The canonical SMILES for 2-[2-[2-[2-(2-ethenoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl 3-sulfanylpropanoate is C=COCCOCCOCCOCCOCCOC(=O)CCS.
What is the InChIKey of 2-[2-[2-[2-(2-ethenoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl 3-sulfanylpropanoate?
The InChIKey is PESGXNAWIKOVTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O7S/c1-2-17-4-5-18-6-7-19-8-9-20-10-11-21-12-13-22-15(16)3-14-23/h2,23H,1,3-14H2.
What are the key properties of 2-[2-[2-[2-(2-ethenoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl 3-sulfanylpropanoate?
2-[2-[2-[2-(2-ethenoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl 3-sulfanylpropanoate has a molecular weight of 352.45 g/mol, XLogP of 1.08, 18 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-(2-ethenoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl 3-sulfanylpropanoate is sourced from PubChem (CID 156783976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).