1-[3-(1-methoxyethoxy)propylsulfanyl]butane

C10H22O2S — CID 20729021

IUPAC1-[3-(1-methoxyethoxy)propylsulfanyl]butane
SMILESCCCCSCCCOC(C)OC
InChIInChI=1S/C10H22O2S/c1-4-5-8-13-9-6-7-12-10(2)11-3/h10H,4-9H2,1-3H3
InChIKeyXWUOGFNMHFEIKW-UHFFFAOYSA-N
MW206.35 g/mol
LogP2.92
Rot. Bonds9

About 1-[3-(1-methoxyethoxy)propylsulfanyl]butane

1-[3-(1-methoxyethoxy)propylsulfanyl]butane (PubChem CID 20729021) has the molecular formula C10H22O2S and a molecular weight of 206.35 g/mol. Its IUPAC name is 1-[3-(1-methoxyethoxy)propylsulfanyl]butane.

Molecular Properties

Compound Name1-[3-(1-methoxyethoxy)propylsulfanyl]butane
PubChem CID20729021
Molecular FormulaC10H22O2S
Molecular Weight206.35 g/mol
Exact Mass206.13
IUPAC Name1-[3-(1-methoxyethoxy)propylsulfanyl]butane
SMILESCCCCSCCCOC(C)OC
InChIInChI=1S/C10H22O2S/c1-4-5-8-13-9-6-7-12-10(2)11-3/h10H,4-9H2,1-3H3
InChIKeyXWUOGFNMHFEIKW-UHFFFAOYSA-N
XLogP2.92
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.35
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Methional diethyl acetal
CID 85521
2-(Methylthio)-acetaldehyde diethyl acetal
CID 295980
2-[3-(1-Ethoxyethoxy)propyl][1,3]dithiane
CID 600786
2-(2,2-Diethoxyethyl)-1,3-dithiane
CID 13192745
1,1-Dimethoxy-3-(methylthio)propane
CID 83240
1,1-Diethoxy-1-(ethylthio)ethane
CID 144277
2-(2,2-Dimethoxy-ethylsulfanyl)-propane
CID 21678066
2-(2,2-Dimethoxy-ethylsulfanyl)-2-methyl-propane
CID 21678071
Bis(2,2-diethoxyethyl)sulfane
CID 2776988
Dimethoxyethyl sulfide
CID 554732
1,1-Diethoxy-2-(propan-2-ylsulfanyl)ethane
CID 14974110
CID 13952911
CID 13952911

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-methoxyethoxy)propylsulfanyl]butane?
The IUPAC name of 1-[3-(1-methoxyethoxy)propylsulfanyl]butane (CID 20729021) is 1-[3-(1-methoxyethoxy)propylsulfanyl]butane.
What is the SMILES notation for 1-[3-(1-methoxyethoxy)propylsulfanyl]butane?
The canonical SMILES for 1-[3-(1-methoxyethoxy)propylsulfanyl]butane is CCCCSCCCOC(C)OC.
What is the InChIKey of 1-[3-(1-methoxyethoxy)propylsulfanyl]butane?
The InChIKey is XWUOGFNMHFEIKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O2S/c1-4-5-8-13-9-6-7-12-10(2)11-3/h10H,4-9H2,1-3H3.
What are the key properties of 1-[3-(1-methoxyethoxy)propylsulfanyl]butane?
1-[3-(1-methoxyethoxy)propylsulfanyl]butane has a molecular weight of 206.35 g/mol, XLogP of 2.92, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-methoxyethoxy)propylsulfanyl]butane is sourced from PubChem (CID 20729021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).