1-(2-methylsulfanylethoxy)hexane

C9H20OS — CID 104863791

IUPAC1-(2-methylsulfanylethoxy)hexane
SMILESCCCCCCOCCSC
InChIInChI=1S/C9H20OS/c1-3-4-5-6-7-10-8-9-11-2/h3-9H2,1-2H3
InChIKeyUPFXSQGXRSUCHV-UHFFFAOYSA-N
MW176.32 g/mol
LogP2.95
Rot. Bonds8

About 1-(2-methylsulfanylethoxy)hexane

1-(2-methylsulfanylethoxy)hexane (PubChem CID 104863791) has the molecular formula C9H20OS and a molecular weight of 176.32 g/mol. Its IUPAC name is 1-(2-methylsulfanylethoxy)hexane.

Molecular Properties

Compound Name1-(2-methylsulfanylethoxy)hexane
PubChem CID104863791
Molecular FormulaC9H20OS
Molecular Weight176.32 g/mol
Exact Mass176.12
IUPAC Name1-(2-methylsulfanylethoxy)hexane
SMILESCCCCCCOCCSC
InChIInChI=1S/C9H20OS/c1-3-4-5-6-7-10-8-9-11-2/h3-9H2,1-2H3
InChIKeyUPFXSQGXRSUCHV-UHFFFAOYSA-N
XLogP2.95
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.32
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-dodecoxyhexadecane
CID 22256973
1-decoxydocosane
CID 87077677
1-heptoxydocosane
CID 91692957
1-(6-pentadecoxyhexoxy)pentadecane
CID 139884766
1-heptacosoxyheptacosane
CID 57287180
1-(6-octadecoxyhexoxy)octadecane
CID 139884769
1-(7-tetradecoxyheptoxy)tetradecane
CID 139884729
1-hexacosoxyhexacosane
CID 56611156
1-(2-decoxyethoxy)decane
CID 14009354
1-hexoxyhexane;yttrium
CID 87066735
1-[2-[2-[2-[2-(2-pentoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]heptane
CID 150797704
1-[2-(2-tetradecoxyethoxy)ethoxy]tetradecane
CID 10743953

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylsulfanylethoxy)hexane?
The IUPAC name of 1-(2-methylsulfanylethoxy)hexane (CID 104863791) is 1-(2-methylsulfanylethoxy)hexane.
What is the SMILES notation for 1-(2-methylsulfanylethoxy)hexane?
The canonical SMILES for 1-(2-methylsulfanylethoxy)hexane is CCCCCCOCCSC.
What is the InChIKey of 1-(2-methylsulfanylethoxy)hexane?
The InChIKey is UPFXSQGXRSUCHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20OS/c1-3-4-5-6-7-10-8-9-11-2/h3-9H2,1-2H3.
What are the key properties of 1-(2-methylsulfanylethoxy)hexane?
1-(2-methylsulfanylethoxy)hexane has a molecular weight of 176.32 g/mol, XLogP of 2.95, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylsulfanylethoxy)hexane is sourced from PubChem (CID 104863791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).