3-[2-[2-(2-methoxyethoxy)ethoxy]ethylsulfanyl]butan-1-ol

C11H24O4S — CID 104565085

IUPAC3-[2-[2-(2-methoxyethoxy)ethoxy]ethylsulfanyl]butan-1-ol
SMILESCOCCOCCOCCSC(C)CCO
InChIInChI=1S/C11H24O4S/c1-11(3-4-12)16-10-9-15-8-7-14-6-5-13-2/h11-12H,3-10H2,1-2H3
InChIKeyPEHZZNUFOFJYRQ-UHFFFAOYSA-N
MW252.38 g/mol
LogP1.17
Rot. Bonds12

About 3-[2-[2-(2-methoxyethoxy)ethoxy]ethylsulfanyl]butan-1-ol

3-[2-[2-(2-methoxyethoxy)ethoxy]ethylsulfanyl]butan-1-ol (PubChem CID 104565085) has the molecular formula C11H24O4S and a molecular weight of 252.38 g/mol. Its IUPAC name is 3-[2-[2-(2-methoxyethoxy)ethoxy]ethylsulfanyl]butan-1-ol.

Molecular Properties

Compound Name3-[2-[2-(2-methoxyethoxy)ethoxy]ethylsulfanyl]butan-1-ol
PubChem CID104565085
Molecular FormulaC11H24O4S
Molecular Weight252.38 g/mol
Exact Mass252.14
IUPAC Name3-[2-[2-(2-methoxyethoxy)ethoxy]ethylsulfanyl]butan-1-ol
SMILESCOCCOCCOCCSC(C)CCO
InChIInChI=1S/C11H24O4S/c1-11(3-4-12)16-10-9-15-8-7-14-6-5-13-2/h11-12H,3-10H2,1-2H3
InChIKeyPEHZZNUFOFJYRQ-UHFFFAOYSA-N
XLogP1.17
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 3-[2-[2-(2-methoxyethoxy)ethoxy]ethylsulfanyl]butan-1-ol?
The IUPAC name of 3-[2-[2-(2-methoxyethoxy)ethoxy]ethylsulfanyl]butan-1-ol (CID 104565085) is 3-[2-[2-(2-methoxyethoxy)ethoxy]ethylsulfanyl]butan-1-ol.
What is the SMILES notation for 3-[2-[2-(2-methoxyethoxy)ethoxy]ethylsulfanyl]butan-1-ol?
The canonical SMILES for 3-[2-[2-(2-methoxyethoxy)ethoxy]ethylsulfanyl]butan-1-ol is COCCOCCOCCSC(C)CCO.
What is the InChIKey of 3-[2-[2-(2-methoxyethoxy)ethoxy]ethylsulfanyl]butan-1-ol?
The InChIKey is PEHZZNUFOFJYRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O4S/c1-11(3-4-12)16-10-9-15-8-7-14-6-5-13-2/h11-12H,3-10H2,1-2H3.
What are the key properties of 3-[2-[2-(2-methoxyethoxy)ethoxy]ethylsulfanyl]butan-1-ol?
3-[2-[2-(2-methoxyethoxy)ethoxy]ethylsulfanyl]butan-1-ol has a molecular weight of 252.38 g/mol, XLogP of 1.17, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-(2-methoxyethoxy)ethoxy]ethylsulfanyl]butan-1-ol is sourced from PubChem (CID 104565085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).