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

C10H22O3S — CID 20729023

IUPAC1-[3-(1-methoxyethoxy)propylsulfinyl]butane
SMILESCCCCS(=O)CCCOC(C)OC
InChIInChI=1S/C10H22O3S/c1-4-5-8-14(11)9-6-7-13-10(2)12-3/h10H,4-9H2,1-3H3
InChIKeyHUOJGMVRIJUDBV-UHFFFAOYSA-N
MW222.35 g/mol
LogP1.93
Rot. Bonds9

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

1-[3-(1-methoxyethoxy)propylsulfinyl]butane (PubChem CID 20729023) has the molecular formula C10H22O3S and a molecular weight of 222.35 g/mol. Its IUPAC name is 1-[3-(1-methoxyethoxy)propylsulfinyl]butane.

Molecular Properties

Compound Name1-[3-(1-methoxyethoxy)propylsulfinyl]butane
PubChem CID20729023
Molecular FormulaC10H22O3S
Molecular Weight222.35 g/mol
Exact Mass222.13
IUPAC Name1-[3-(1-methoxyethoxy)propylsulfinyl]butane
SMILESCCCCS(=O)CCCOC(C)OC
InChIInChI=1S/C10H22O3S/c1-4-5-8-14(11)9-6-7-13-10(2)12-3/h10H,4-9H2,1-3H3
InChIKeyHUOJGMVRIJUDBV-UHFFFAOYSA-N
XLogP1.93
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.35
LogP ≤ 51.93
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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Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-methoxyethoxy)propylsulfinyl]butane?
The IUPAC name of 1-[3-(1-methoxyethoxy)propylsulfinyl]butane (CID 20729023) is 1-[3-(1-methoxyethoxy)propylsulfinyl]butane.
What is the SMILES notation for 1-[3-(1-methoxyethoxy)propylsulfinyl]butane?
The canonical SMILES for 1-[3-(1-methoxyethoxy)propylsulfinyl]butane is CCCCS(=O)CCCOC(C)OC.
What is the InChIKey of 1-[3-(1-methoxyethoxy)propylsulfinyl]butane?
The InChIKey is HUOJGMVRIJUDBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O3S/c1-4-5-8-14(11)9-6-7-13-10(2)12-3/h10H,4-9H2,1-3H3.
What are the key properties of 1-[3-(1-methoxyethoxy)propylsulfinyl]butane?
1-[3-(1-methoxyethoxy)propylsulfinyl]butane has a molecular weight of 222.35 g/mol, XLogP of 1.93, 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)propylsulfinyl]butane is sourced from PubChem (CID 20729023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).