1-(methylsulfanylmethoxy)decane

C12H26OS — CID 23148857

IUPAC1-(methylsulfanylmethoxy)decane
SMILESCCCCCCCCCCOCSC
InChIInChI=1S/C12H26OS/c1-3-4-5-6-7-8-9-10-11-13-12-14-2/h3-12H2,1-2H3
InChIKeyZOEBBQMMBGXTTI-UHFFFAOYSA-N
MW218.41 g/mol
LogP4.46
Rot. Bonds11

About 1-(methylsulfanylmethoxy)decane

1-(methylsulfanylmethoxy)decane (PubChem CID 23148857) has the molecular formula C12H26OS and a molecular weight of 218.41 g/mol. Its IUPAC name is 1-(methylsulfanylmethoxy)decane.

Molecular Properties

Compound Name1-(methylsulfanylmethoxy)decane
PubChem CID23148857
Molecular FormulaC12H26OS
Molecular Weight218.41 g/mol
Exact Mass218.17
IUPAC Name1-(methylsulfanylmethoxy)decane
SMILESCCCCCCCCCCOCSC
InChIInChI=1S/C12H26OS/c1-3-4-5-6-7-8-9-10-11-13-12-14-2/h3-12H2,1-2H3
InChIKeyZOEBBQMMBGXTTI-UHFFFAOYSA-N
XLogP4.46
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.41
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-(methylsulfanylmethoxy)decane?
The IUPAC name of 1-(methylsulfanylmethoxy)decane (CID 23148857) is 1-(methylsulfanylmethoxy)decane.
What is the SMILES notation for 1-(methylsulfanylmethoxy)decane?
The canonical SMILES for 1-(methylsulfanylmethoxy)decane is CCCCCCCCCCOCSC.
What is the InChIKey of 1-(methylsulfanylmethoxy)decane?
The InChIKey is ZOEBBQMMBGXTTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26OS/c1-3-4-5-6-7-8-9-10-11-13-12-14-2/h3-12H2,1-2H3.
What are the key properties of 1-(methylsulfanylmethoxy)decane?
1-(methylsulfanylmethoxy)decane has a molecular weight of 218.41 g/mol, XLogP of 4.46, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methylsulfanylmethoxy)decane is sourced from PubChem (CID 23148857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).