3-[2-[2-[2-(2-sulfanylethoxy)ethoxy]ethoxy]ethoxy]propanal

C11H22O5S — CID 122674478

IUPAC3-[2-[2-[2-(2-sulfanylethoxy)ethoxy]ethoxy]ethoxy]propanal
SMILESO=CCCOCCOCCOCCOCCS
InChIInChI=1S/C11H22O5S/c12-2-1-3-13-4-5-14-6-7-15-8-9-16-10-11-17/h2,17H,1,3-11H2
InChIKeyUVCDPQBNNYTESV-UHFFFAOYSA-N
MW266.36 g/mol
LogP0.57
Rot. Bonds14

About 3-[2-[2-[2-(2-sulfanylethoxy)ethoxy]ethoxy]ethoxy]propanal

3-[2-[2-[2-(2-sulfanylethoxy)ethoxy]ethoxy]ethoxy]propanal (PubChem CID 122674478) has the molecular formula C11H22O5S and a molecular weight of 266.36 g/mol. Its IUPAC name is 3-[2-[2-[2-(2-sulfanylethoxy)ethoxy]ethoxy]ethoxy]propanal.

Molecular Properties

Compound Name3-[2-[2-[2-(2-sulfanylethoxy)ethoxy]ethoxy]ethoxy]propanal
PubChem CID122674478
Molecular FormulaC11H22O5S
Molecular Weight266.36 g/mol
Exact Mass266.12
IUPAC Name3-[2-[2-[2-(2-sulfanylethoxy)ethoxy]ethoxy]ethoxy]propanal
SMILESO=CCCOCCOCCOCCOCCS
InChIInChI=1S/C11H22O5S/c12-2-1-3-13-4-5-14-6-7-15-8-9-16-10-11-17/h2,17H,1,3-11H2
InChIKeyUVCDPQBNNYTESV-UHFFFAOYSA-N
XLogP0.57
TPSA53.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', '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 3-[2-[2-[2-(2-sulfanylethoxy)ethoxy]ethoxy]ethoxy]propanal?
The IUPAC name of 3-[2-[2-[2-(2-sulfanylethoxy)ethoxy]ethoxy]ethoxy]propanal (CID 122674478) is 3-[2-[2-[2-(2-sulfanylethoxy)ethoxy]ethoxy]ethoxy]propanal.
What is the SMILES notation for 3-[2-[2-[2-(2-sulfanylethoxy)ethoxy]ethoxy]ethoxy]propanal?
The canonical SMILES for 3-[2-[2-[2-(2-sulfanylethoxy)ethoxy]ethoxy]ethoxy]propanal is O=CCCOCCOCCOCCOCCS.
What is the InChIKey of 3-[2-[2-[2-(2-sulfanylethoxy)ethoxy]ethoxy]ethoxy]propanal?
The InChIKey is UVCDPQBNNYTESV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O5S/c12-2-1-3-13-4-5-14-6-7-15-8-9-16-10-11-17/h2,17H,1,3-11H2.
What are the key properties of 3-[2-[2-[2-(2-sulfanylethoxy)ethoxy]ethoxy]ethoxy]propanal?
3-[2-[2-[2-(2-sulfanylethoxy)ethoxy]ethoxy]ethoxy]propanal has a molecular weight of 266.36 g/mol, XLogP of 0.57, 14 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-[2-(2-sulfanylethoxy)ethoxy]ethoxy]ethoxy]propanal is sourced from PubChem (CID 122674478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).