2-methyl-2-methylsulfanyloxepane

C8H16OS — CID 14681292

IUPAC2-methyl-2-methylsulfanyloxepane
SMILESCSC1(C)CCCCCO1
InChIInChI=1S/C8H16OS/c1-8(10-2)6-4-3-5-7-9-8/h3-7H2,1-2H3
InChIKeyYGPWSZZALOXLSJ-UHFFFAOYSA-N
MW160.28 g/mol
LogP2.66
Rot. Bonds1

About 2-methyl-2-methylsulfanyloxepane

2-methyl-2-methylsulfanyloxepane (PubChem CID 14681292) has the molecular formula C8H16OS and a molecular weight of 160.28 g/mol. Its IUPAC name is 2-methyl-2-methylsulfanyloxepane.

Molecular Properties

Compound Name2-methyl-2-methylsulfanyloxepane
PubChem CID14681292
Molecular FormulaC8H16OS
Molecular Weight160.28 g/mol
Exact Mass160.09
IUPAC Name2-methyl-2-methylsulfanyloxepane
SMILESCSC1(C)CCCCCO1
InChIInChI=1S/C8H16OS/c1-8(10-2)6-4-3-5-7-9-8/h3-7H2,1-2H3
InChIKeyYGPWSZZALOXLSJ-UHFFFAOYSA-N
XLogP2.66
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.28
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-Methyl-2-methylsulfanyl-oxacyclotetradecane
CID 11118757
2-Butyl-2-methylsulfanyloxocane
CID 14681300
2-Methylsulfanyl-oxacyclotetradecane
CID 15424833
2-Methyl-2-methylsulfanyl-oxacyclooctadecane
CID 134871833
1-(2-Methylsulfanylethoxy)heptane
CID 104863786
(2R)-2-butyl-2-methylsulfanyloxocane
CID 125508830
(2S)-2-butyl-2-methylsulfanyloxocane
CID 125508834

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-methylsulfanyloxepane?
The IUPAC name of 2-methyl-2-methylsulfanyloxepane (CID 14681292) is 2-methyl-2-methylsulfanyloxepane.
What is the SMILES notation for 2-methyl-2-methylsulfanyloxepane?
The canonical SMILES for 2-methyl-2-methylsulfanyloxepane is CSC1(C)CCCCCO1.
What is the InChIKey of 2-methyl-2-methylsulfanyloxepane?
The InChIKey is YGPWSZZALOXLSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16OS/c1-8(10-2)6-4-3-5-7-9-8/h3-7H2,1-2H3.
What are the key properties of 2-methyl-2-methylsulfanyloxepane?
2-methyl-2-methylsulfanyloxepane has a molecular weight of 160.28 g/mol, XLogP of 2.66, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-methylsulfanyloxepane is sourced from PubChem (CID 14681292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).