1-(2-methoxyethylsulfanyl)-3-methylbutane

C8H18OS — CID 88910390

IUPAC1-(2-methoxyethylsulfanyl)-3-methylbutane
SMILESCOCCSCCC(C)C
InChIInChI=1S/C8H18OS/c1-8(2)4-6-10-7-5-9-3/h8H,4-7H2,1-3H3
InChIKeyJANDFEVJGFGRIP-UHFFFAOYSA-N
MW162.30 g/mol
LogP2.41
Rot. Bonds6

About 1-(2-methoxyethylsulfanyl)-3-methylbutane

1-(2-methoxyethylsulfanyl)-3-methylbutane (PubChem CID 88910390) has the molecular formula C8H18OS and a molecular weight of 162.30 g/mol. Its IUPAC name is 1-(2-methoxyethylsulfanyl)-3-methylbutane.

Molecular Properties

Compound Name1-(2-methoxyethylsulfanyl)-3-methylbutane
PubChem CID88910390
Molecular FormulaC8H18OS
Molecular Weight162.30 g/mol
Exact Mass162.11
IUPAC Name1-(2-methoxyethylsulfanyl)-3-methylbutane
SMILESCOCCSCCC(C)C
InChIInChI=1S/C8H18OS/c1-8(2)4-6-10-7-5-9-3/h8H,4-7H2,1-3H3
InChIKeyJANDFEVJGFGRIP-UHFFFAOYSA-N
XLogP2.41
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.30
LogP ≤ 52.41
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)-3-methylbutane?
The IUPAC name of 1-(2-methoxyethylsulfanyl)-3-methylbutane (CID 88910390) is 1-(2-methoxyethylsulfanyl)-3-methylbutane.
What is the SMILES notation for 1-(2-methoxyethylsulfanyl)-3-methylbutane?
The canonical SMILES for 1-(2-methoxyethylsulfanyl)-3-methylbutane is COCCSCCC(C)C.
What is the InChIKey of 1-(2-methoxyethylsulfanyl)-3-methylbutane?
The InChIKey is JANDFEVJGFGRIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18OS/c1-8(2)4-6-10-7-5-9-3/h8H,4-7H2,1-3H3.
What are the key properties of 1-(2-methoxyethylsulfanyl)-3-methylbutane?
1-(2-methoxyethylsulfanyl)-3-methylbutane has a molecular weight of 162.30 g/mol, XLogP of 2.41, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethylsulfanyl)-3-methylbutane is sourced from PubChem (CID 88910390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).