4-methyl-1-methylsulfanyloxypentane

C7H16OS — CID 123958769

IUPAC4-methyl-1-methylsulfanyloxypentane
SMILESCSOCCCC(C)C
InChIInChI=1S/C7H16OS/c1-7(2)5-4-6-8-9-3/h7H,4-6H2,1-3H3
InChIKeyDFAQZLHSWDRYQH-UHFFFAOYSA-N
MW148.27 g/mol
LogP2.72
Rot. Bonds5

About 4-methyl-1-methylsulfanyloxypentane

4-methyl-1-methylsulfanyloxypentane (PubChem CID 123958769) has the molecular formula C7H16OS and a molecular weight of 148.27 g/mol. Its IUPAC name is 4-methyl-1-methylsulfanyloxypentane.

Molecular Properties

Compound Name4-methyl-1-methylsulfanyloxypentane
PubChem CID123958769
Molecular FormulaC7H16OS
Molecular Weight148.27 g/mol
Exact Mass148.09
IUPAC Name4-methyl-1-methylsulfanyloxypentane
SMILESCSOCCCC(C)C
InChIInChI=1S/C7H16OS/c1-7(2)5-4-6-8-9-3/h7H,4-6H2,1-3H3
InChIKeyDFAQZLHSWDRYQH-UHFFFAOYSA-N
XLogP2.72
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.27
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-methylsulfanyloxypentane?
The IUPAC name of 4-methyl-1-methylsulfanyloxypentane (CID 123958769) is 4-methyl-1-methylsulfanyloxypentane.
What is the SMILES notation for 4-methyl-1-methylsulfanyloxypentane?
The canonical SMILES for 4-methyl-1-methylsulfanyloxypentane is CSOCCCC(C)C.
What is the InChIKey of 4-methyl-1-methylsulfanyloxypentane?
The InChIKey is DFAQZLHSWDRYQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16OS/c1-7(2)5-4-6-8-9-3/h7H,4-6H2,1-3H3.
What are the key properties of 4-methyl-1-methylsulfanyloxypentane?
4-methyl-1-methylsulfanyloxypentane has a molecular weight of 148.27 g/mol, XLogP of 2.72, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-methylsulfanyloxypentane is sourced from PubChem (CID 123958769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).