1-(2-methoxyethylsulfanyl)-4,4-dimethylpentane

C10H22OS — CID 169283675

IUPAC1-(2-methoxyethylsulfanyl)-4,4-dimethylpentane
SMILESCOCCSCCCC(C)(C)C
InChIInChI=1S/C10H22OS/c1-10(2,3)6-5-8-12-9-7-11-4/h5-9H2,1-4H3
InChIKeyGGLFAOWUGAGIFE-UHFFFAOYSA-N
MW190.35 g/mol
LogP3.19
Rot. Bonds6

About 1-(2-methoxyethylsulfanyl)-4,4-dimethylpentane

1-(2-methoxyethylsulfanyl)-4,4-dimethylpentane (PubChem CID 169283675) has the molecular formula C10H22OS and a molecular weight of 190.35 g/mol. Its IUPAC name is 1-(2-methoxyethylsulfanyl)-4,4-dimethylpentane.

Molecular Properties

Compound Name1-(2-methoxyethylsulfanyl)-4,4-dimethylpentane
PubChem CID169283675
Molecular FormulaC10H22OS
Molecular Weight190.35 g/mol
Exact Mass190.14
IUPAC Name1-(2-methoxyethylsulfanyl)-4,4-dimethylpentane
SMILESCOCCSCCCC(C)(C)C
InChIInChI=1S/C10H22OS/c1-10(2,3)6-5-8-12-9-7-11-4/h5-9H2,1-4H3
InChIKeyGGLFAOWUGAGIFE-UHFFFAOYSA-N
XLogP3.19
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.35
LogP ≤ 53.19
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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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethylsulfanyl)-4,4-dimethylpentane?
The IUPAC name of 1-(2-methoxyethylsulfanyl)-4,4-dimethylpentane (CID 169283675) is 1-(2-methoxyethylsulfanyl)-4,4-dimethylpentane.
What is the SMILES notation for 1-(2-methoxyethylsulfanyl)-4,4-dimethylpentane?
The canonical SMILES for 1-(2-methoxyethylsulfanyl)-4,4-dimethylpentane is COCCSCCCC(C)(C)C.
What is the InChIKey of 1-(2-methoxyethylsulfanyl)-4,4-dimethylpentane?
The InChIKey is GGLFAOWUGAGIFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22OS/c1-10(2,3)6-5-8-12-9-7-11-4/h5-9H2,1-4H3.
What are the key properties of 1-(2-methoxyethylsulfanyl)-4,4-dimethylpentane?
1-(2-methoxyethylsulfanyl)-4,4-dimethylpentane has a molecular weight of 190.35 g/mol, XLogP of 3.19, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethylsulfanyl)-4,4-dimethylpentane is sourced from PubChem (CID 169283675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).