4-[3-(2-methoxyethoxy)propyl]thiolan-3-ol

C10H20O3S — CID 103411854

IUPAC4-[3-(2-methoxyethoxy)propyl]thiolan-3-ol
SMILESCOCCOCCCC1CSCC1O
InChIInChI=1S/C10H20O3S/c1-12-5-6-13-4-2-3-9-7-14-8-10(9)11/h9-11H,2-8H2,1H3
InChIKeyJMDBTXPRMAFZKC-UHFFFAOYSA-N
MW220.33 g/mol
LogP1.15
Rot. Bonds7

About 4-[3-(2-methoxyethoxy)propyl]thiolan-3-ol

4-[3-(2-methoxyethoxy)propyl]thiolan-3-ol (PubChem CID 103411854) has the molecular formula C10H20O3S and a molecular weight of 220.33 g/mol. Its IUPAC name is 4-[3-(2-methoxyethoxy)propyl]thiolan-3-ol.

Molecular Properties

Compound Name4-[3-(2-methoxyethoxy)propyl]thiolan-3-ol
PubChem CID103411854
Molecular FormulaC10H20O3S
Molecular Weight220.33 g/mol
Exact Mass220.11
IUPAC Name4-[3-(2-methoxyethoxy)propyl]thiolan-3-ol
SMILESCOCCOCCCC1CSCC1O
InChIInChI=1S/C10H20O3S/c1-12-5-6-13-4-2-3-9-7-14-8-10(9)11/h9-11H,2-8H2,1H3
InChIKeyJMDBTXPRMAFZKC-UHFFFAOYSA-N
XLogP1.15
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.33
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-methoxyethoxy)propyl]thiolan-3-ol?
The IUPAC name of 4-[3-(2-methoxyethoxy)propyl]thiolan-3-ol (CID 103411854) is 4-[3-(2-methoxyethoxy)propyl]thiolan-3-ol.
What is the SMILES notation for 4-[3-(2-methoxyethoxy)propyl]thiolan-3-ol?
The canonical SMILES for 4-[3-(2-methoxyethoxy)propyl]thiolan-3-ol is COCCOCCCC1CSCC1O.
What is the InChIKey of 4-[3-(2-methoxyethoxy)propyl]thiolan-3-ol?
The InChIKey is JMDBTXPRMAFZKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O3S/c1-12-5-6-13-4-2-3-9-7-14-8-10(9)11/h9-11H,2-8H2,1H3.
What are the key properties of 4-[3-(2-methoxyethoxy)propyl]thiolan-3-ol?
4-[3-(2-methoxyethoxy)propyl]thiolan-3-ol has a molecular weight of 220.33 g/mol, XLogP of 1.15, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-methoxyethoxy)propyl]thiolan-3-ol is sourced from PubChem (CID 103411854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).