2-methyl-5-(2-methylsulfanylethyl)oxane

C9H18OS — CID 139448151

IUPAC2-methyl-5-(2-methylsulfanylethyl)oxane
SMILESCSCCC1CCC(C)OC1
InChIInChI=1S/C9H18OS/c1-8-3-4-9(7-10-8)5-6-11-2/h8-9H,3-7H2,1-2H3
InChIKeyBDBAAKKTVYMMJY-UHFFFAOYSA-N
MW174.31 g/mol
LogP2.55
Rot. Bonds3

About 2-methyl-5-(2-methylsulfanylethyl)oxane

2-methyl-5-(2-methylsulfanylethyl)oxane (PubChem CID 139448151) has the molecular formula C9H18OS and a molecular weight of 174.31 g/mol. Its IUPAC name is 2-methyl-5-(2-methylsulfanylethyl)oxane.

Molecular Properties

Compound Name2-methyl-5-(2-methylsulfanylethyl)oxane
PubChem CID139448151
Molecular FormulaC9H18OS
Molecular Weight174.31 g/mol
Exact Mass174.11
IUPAC Name2-methyl-5-(2-methylsulfanylethyl)oxane
SMILESCSCCC1CCC(C)OC1
InChIInChI=1S/C9H18OS/c1-8-3-4-9(7-10-8)5-6-11-2/h8-9H,3-7H2,1-2H3
InChIKeyBDBAAKKTVYMMJY-UHFFFAOYSA-N
XLogP2.55
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.31
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(2-methylsulfanylethyl)oxane?
The IUPAC name of 2-methyl-5-(2-methylsulfanylethyl)oxane (CID 139448151) is 2-methyl-5-(2-methylsulfanylethyl)oxane.
What is the SMILES notation for 2-methyl-5-(2-methylsulfanylethyl)oxane?
The canonical SMILES for 2-methyl-5-(2-methylsulfanylethyl)oxane is CSCCC1CCC(C)OC1.
What is the InChIKey of 2-methyl-5-(2-methylsulfanylethyl)oxane?
The InChIKey is BDBAAKKTVYMMJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18OS/c1-8-3-4-9(7-10-8)5-6-11-2/h8-9H,3-7H2,1-2H3.
What are the key properties of 2-methyl-5-(2-methylsulfanylethyl)oxane?
2-methyl-5-(2-methylsulfanylethyl)oxane has a molecular weight of 174.31 g/mol, XLogP of 2.55, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(2-methylsulfanylethyl)oxane is sourced from PubChem (CID 139448151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).