1-(propoxymethylsulfanylmethoxy)propane

C8H18O2S — CID 151305638

IUPAC1-(propoxymethylsulfanylmethoxy)propane
SMILESCCCOCSCOCCC
InChIInChI=1S/C8H18O2S/c1-3-5-9-7-11-8-10-6-4-2/h3-8H2,1-2H3
InChIKeyODINZYSGCZLHPQ-UHFFFAOYSA-N
MW178.30 g/mol
LogP2.49
Rot. Bonds8

About 1-(propoxymethylsulfanylmethoxy)propane

1-(propoxymethylsulfanylmethoxy)propane (PubChem CID 151305638) has the molecular formula C8H18O2S and a molecular weight of 178.30 g/mol. Its IUPAC name is 1-(propoxymethylsulfanylmethoxy)propane.

Molecular Properties

Compound Name1-(propoxymethylsulfanylmethoxy)propane
PubChem CID151305638
Molecular FormulaC8H18O2S
Molecular Weight178.30 g/mol
Exact Mass178.10
IUPAC Name1-(propoxymethylsulfanylmethoxy)propane
SMILESCCCOCSCOCCC
InChIInChI=1S/C8H18O2S/c1-3-5-9-7-11-8-10-6-4-2/h3-8H2,1-2H3
InChIKeyODINZYSGCZLHPQ-UHFFFAOYSA-N
XLogP2.49
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.30
LogP ≤ 52.49
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'}

Analyze 1-(propoxymethylsulfanylmethoxy)propane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methane;1-(methylsulfanylmethoxy)propane
CID 162178980
ethane;propane;1-propoxypropane
CID 143757970
1,5-dipropoxy-3-(2-propoxyethyl)pentane
CID 58572257
1-propoxy-3-(3-propoxypropoxy)propane
CID 90943526
1-ethoxypropane;methane
CID 158784820
CID 59269514
CID 59269514
1-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propane
CID 88861501
chloromercury;1-ethoxypropane
CID 175272647
propoxymethyl carbamimidothioate
CID 55288894
2-[2-(2-propan-2-yloxyethoxy)ethoxy]propane;1-[2-(2-propoxyethoxy)ethoxy]propane
CID 162194347
1-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]propane
CID 130291288
3-methyl-1-propoxypentane
CID 123388243

Frequently Asked Questions

What is the IUPAC name of 1-(propoxymethylsulfanylmethoxy)propane?
The IUPAC name of 1-(propoxymethylsulfanylmethoxy)propane (CID 151305638) is 1-(propoxymethylsulfanylmethoxy)propane.
What is the SMILES notation for 1-(propoxymethylsulfanylmethoxy)propane?
The canonical SMILES for 1-(propoxymethylsulfanylmethoxy)propane is CCCOCSCOCCC.
What is the InChIKey of 1-(propoxymethylsulfanylmethoxy)propane?
The InChIKey is ODINZYSGCZLHPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O2S/c1-3-5-9-7-11-8-10-6-4-2/h3-8H2,1-2H3.
What are the key properties of 1-(propoxymethylsulfanylmethoxy)propane?
1-(propoxymethylsulfanylmethoxy)propane has a molecular weight of 178.30 g/mol, XLogP of 2.49, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(propoxymethylsulfanylmethoxy)propane is sourced from PubChem (CID 151305638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).