2-(2-ethylsulfanyl-1-methoxyethoxy)butan-1-ol

C9H20O3S — CID 158797290

IUPAC2-(2-ethylsulfanyl-1-methoxyethoxy)butan-1-ol
SMILESCCSCC(OC)OC(CC)CO
InChIInChI=1S/C9H20O3S/c1-4-8(6-10)12-9(11-3)7-13-5-2/h8-10H,4-7H2,1-3H3
InChIKeyOEIASESQWMNNCR-UHFFFAOYSA-N
MW208.32 g/mol
LogP1.50
Rot. Bonds8

About 2-(2-ethylsulfanyl-1-methoxyethoxy)butan-1-ol

2-(2-ethylsulfanyl-1-methoxyethoxy)butan-1-ol (PubChem CID 158797290) has the molecular formula C9H20O3S and a molecular weight of 208.32 g/mol. Its IUPAC name is 2-(2-ethylsulfanyl-1-methoxyethoxy)butan-1-ol.

Molecular Properties

Compound Name2-(2-ethylsulfanyl-1-methoxyethoxy)butan-1-ol
PubChem CID158797290
Molecular FormulaC9H20O3S
Molecular Weight208.32 g/mol
Exact Mass208.11
IUPAC Name2-(2-ethylsulfanyl-1-methoxyethoxy)butan-1-ol
SMILESCCSCC(OC)OC(CC)CO
InChIInChI=1S/C9H20O3S/c1-4-8(6-10)12-9(11-3)7-13-5-2/h8-10H,4-7H2,1-3H3
InChIKeyOEIASESQWMNNCR-UHFFFAOYSA-N
XLogP1.50
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.32
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylsulfanyl-1-methoxyethoxy)butan-1-ol?
The IUPAC name of 2-(2-ethylsulfanyl-1-methoxyethoxy)butan-1-ol (CID 158797290) is 2-(2-ethylsulfanyl-1-methoxyethoxy)butan-1-ol.
What is the SMILES notation for 2-(2-ethylsulfanyl-1-methoxyethoxy)butan-1-ol?
The canonical SMILES for 2-(2-ethylsulfanyl-1-methoxyethoxy)butan-1-ol is CCSCC(OC)OC(CC)CO.
What is the InChIKey of 2-(2-ethylsulfanyl-1-methoxyethoxy)butan-1-ol?
The InChIKey is OEIASESQWMNNCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O3S/c1-4-8(6-10)12-9(11-3)7-13-5-2/h8-10H,4-7H2,1-3H3.
What are the key properties of 2-(2-ethylsulfanyl-1-methoxyethoxy)butan-1-ol?
2-(2-ethylsulfanyl-1-methoxyethoxy)butan-1-ol has a molecular weight of 208.32 g/mol, XLogP of 1.50, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylsulfanyl-1-methoxyethoxy)butan-1-ol is sourced from PubChem (CID 158797290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).