2-[3-[1-[1-[2-[3-(oxiran-2-ylmethoxy)propylsulfanyl]ethoxy]ethoxy]ethylsulfanyl]propoxymethyl]oxirane

C18H34O6S2 — CID 22662554

IUPAC2-[3-[1-[1-[2-[3-(oxiran-2-ylmethoxy)propylsulfanyl]ethoxy]ethoxy]ethylsulfanyl]propoxymethyl]oxirane
SMILESCC(OCCSCCCOCC1CO1)OC(C)SCCCOCC1CO1
InChIInChI=1S/C18H34O6S2/c1-15(21-7-10-25-8-3-5-19-11-17-13-22-17)24-16(2)26-9-4-6-20-12-18-14-23-18/h15-18H,3-14H2,1-2H3
InChIKeyCEVNWEOUTJLIJF-UHFFFAOYSA-N
MW410.60 g/mol
LogP2.79
Rot. Bonds19

About 2-[3-[1-[1-[2-[3-(oxiran-2-ylmethoxy)propylsulfanyl]ethoxy]ethoxy]ethylsulfanyl]propoxymethyl]oxirane

2-[3-[1-[1-[2-[3-(oxiran-2-ylmethoxy)propylsulfanyl]ethoxy]ethoxy]ethylsulfanyl]propoxymethyl]oxirane (PubChem CID 22662554) has the molecular formula C18H34O6S2 and a molecular weight of 410.60 g/mol. Its IUPAC name is 2-[3-[1-[1-[2-[3-(oxiran-2-ylmethoxy)propylsulfanyl]ethoxy]ethoxy]ethylsulfanyl]propoxymethyl]oxirane.

Molecular Properties

Compound Name2-[3-[1-[1-[2-[3-(oxiran-2-ylmethoxy)propylsulfanyl]ethoxy]ethoxy]ethylsulfanyl]propoxymethyl]oxirane
PubChem CID22662554
Molecular FormulaC18H34O6S2
Molecular Weight410.60 g/mol
Exact Mass410.18
IUPAC Name2-[3-[1-[1-[2-[3-(oxiran-2-ylmethoxy)propylsulfanyl]ethoxy]ethoxy]ethylsulfanyl]propoxymethyl]oxirane
SMILESCC(OCCSCCCOCC1CO1)OC(C)SCCCOCC1CO1
InChIInChI=1S/C18H34O6S2/c1-15(21-7-10-25-8-3-5-19-11-17-13-22-17)24-16(2)26-9-4-6-20-12-18-14-23-18/h15-18H,3-14H2,1-2H3
InChIKeyCEVNWEOUTJLIJF-UHFFFAOYSA-N
XLogP2.79
TPSA61.98 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds19
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.60
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 2-[3-[1-[1-[2-[3-(oxiran-2-ylmethoxy)propylsulfanyl]ethoxy]ethoxy]ethylsulfanyl]propoxymethyl]oxirane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[3-[1-[1-[2-[3-(oxiran-2-ylmethoxy)propylsulfanyl]ethoxy]ethoxy]ethylsulfanyl]propoxymethyl]oxirane?
The IUPAC name of 2-[3-[1-[1-[2-[3-(oxiran-2-ylmethoxy)propylsulfanyl]ethoxy]ethoxy]ethylsulfanyl]propoxymethyl]oxirane (CID 22662554) is 2-[3-[1-[1-[2-[3-(oxiran-2-ylmethoxy)propylsulfanyl]ethoxy]ethoxy]ethylsulfanyl]propoxymethyl]oxirane.
What is the SMILES notation for 2-[3-[1-[1-[2-[3-(oxiran-2-ylmethoxy)propylsulfanyl]ethoxy]ethoxy]ethylsulfanyl]propoxymethyl]oxirane?
The canonical SMILES for 2-[3-[1-[1-[2-[3-(oxiran-2-ylmethoxy)propylsulfanyl]ethoxy]ethoxy]ethylsulfanyl]propoxymethyl]oxirane is CC(OCCSCCCOCC1CO1)OC(C)SCCCOCC1CO1.
What is the InChIKey of 2-[3-[1-[1-[2-[3-(oxiran-2-ylmethoxy)propylsulfanyl]ethoxy]ethoxy]ethylsulfanyl]propoxymethyl]oxirane?
The InChIKey is CEVNWEOUTJLIJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34O6S2/c1-15(21-7-10-25-8-3-5-19-11-17-13-22-17)24-16(2)26-9-4-6-20-12-18-14-23-18/h15-18H,3-14H2,1-2H3.
What are the key properties of 2-[3-[1-[1-[2-[3-(oxiran-2-ylmethoxy)propylsulfanyl]ethoxy]ethoxy]ethylsulfanyl]propoxymethyl]oxirane?
2-[3-[1-[1-[2-[3-(oxiran-2-ylmethoxy)propylsulfanyl]ethoxy]ethoxy]ethylsulfanyl]propoxymethyl]oxirane has a molecular weight of 410.60 g/mol, XLogP of 2.79, 19 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[1-[1-[2-[3-(oxiran-2-ylmethoxy)propylsulfanyl]ethoxy]ethoxy]ethylsulfanyl]propoxymethyl]oxirane is sourced from PubChem (CID 22662554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).