3-ethyl-1-methoxy-3-methylsulfanylpentane

C9H20OS — CID 170037969

IUPAC3-ethyl-1-methoxy-3-methylsulfanylpentane
SMILESCCC(CC)(CCOC)SC
InChIInChI=1S/C9H20OS/c1-5-9(6-2,11-4)7-8-10-3/h5-8H2,1-4H3
InChIKeyMOPTZVCGSGEXOC-UHFFFAOYSA-N
MW176.32 g/mol
LogP2.94
Rot. Bonds6

About 3-ethyl-1-methoxy-3-methylsulfanylpentane

3-ethyl-1-methoxy-3-methylsulfanylpentane (PubChem CID 170037969) has the molecular formula C9H20OS and a molecular weight of 176.32 g/mol. Its IUPAC name is 3-ethyl-1-methoxy-3-methylsulfanylpentane.

Molecular Properties

Compound Name3-ethyl-1-methoxy-3-methylsulfanylpentane
PubChem CID170037969
Molecular FormulaC9H20OS
Molecular Weight176.32 g/mol
Exact Mass176.12
IUPAC Name3-ethyl-1-methoxy-3-methylsulfanylpentane
SMILESCCC(CC)(CCOC)SC
InChIInChI=1S/C9H20OS/c1-5-9(6-2,11-4)7-8-10-3/h5-8H2,1-4H3
InChIKeyMOPTZVCGSGEXOC-UHFFFAOYSA-N
XLogP2.94
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.32
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-ethyl-7-methoxy-5-methylheptan-2-ol
CID 123828259
1,5-dimethoxy-3-[[4-methoxy-2,2-bis(2-methoxyethyl)butoxy]methyl]-3-(2-methoxyethyl)pentane
CID 58757996
ethane;1-methoxy-3,3-dimethylheptane
CID 142973962
1-methoxy-3-(2-methoxyethyl)-3-methylhexane
CID 57212260
ethane;1-methoxy-3,3-dimethylbutane
CID 143141249
1,1,1,3-tetramethoxypropane
CID 10920853
1,5-dimethoxy-3-(2-methoxyethyl)pentan-3-ol
CID 54443930
1-methoxy-3-[(4-methoxy-2-methylbutan-2-yl)trisulfanyl]-3-methylbutane
CID 175881291
(2-ethyl-2-methylsulfanylbutyl) acetate
CID 142287040
1,5-dimethoxy-3-methylpentan-3-amine
CID 114997128
triethyl(2-methoxyethyl)azanium
CID 3026728
2-methoxy-2-methylsulfanylbutane
CID 123157365

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-methoxy-3-methylsulfanylpentane?
The IUPAC name of 3-ethyl-1-methoxy-3-methylsulfanylpentane (CID 170037969) is 3-ethyl-1-methoxy-3-methylsulfanylpentane.
What is the SMILES notation for 3-ethyl-1-methoxy-3-methylsulfanylpentane?
The canonical SMILES for 3-ethyl-1-methoxy-3-methylsulfanylpentane is CCC(CC)(CCOC)SC.
What is the InChIKey of 3-ethyl-1-methoxy-3-methylsulfanylpentane?
The InChIKey is MOPTZVCGSGEXOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20OS/c1-5-9(6-2,11-4)7-8-10-3/h5-8H2,1-4H3.
What are the key properties of 3-ethyl-1-methoxy-3-methylsulfanylpentane?
3-ethyl-1-methoxy-3-methylsulfanylpentane has a molecular weight of 176.32 g/mol, XLogP of 2.94, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-methoxy-3-methylsulfanylpentane is sourced from PubChem (CID 170037969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).