1-methyl-1-(2-methylsulfanylethoxy)cyclobutane

C8H16OS — CID 58894082

IUPAC1-methyl-1-(2-methylsulfanylethoxy)cyclobutane
SMILESCSCCOC1(C)CCC1
InChIInChI=1S/C8H16OS/c1-8(4-3-5-8)9-6-7-10-2/h3-7H2,1-2H3
InChIKeyCTQGVENSFCMCNF-UHFFFAOYSA-N
MW160.28 g/mol
LogP2.31
Rot. Bonds4

About 1-methyl-1-(2-methylsulfanylethoxy)cyclobutane

1-methyl-1-(2-methylsulfanylethoxy)cyclobutane (PubChem CID 58894082) has the molecular formula C8H16OS and a molecular weight of 160.28 g/mol. Its IUPAC name is 1-methyl-1-(2-methylsulfanylethoxy)cyclobutane.

Molecular Properties

Compound Name1-methyl-1-(2-methylsulfanylethoxy)cyclobutane
PubChem CID58894082
Molecular FormulaC8H16OS
Molecular Weight160.28 g/mol
Exact Mass160.09
IUPAC Name1-methyl-1-(2-methylsulfanylethoxy)cyclobutane
SMILESCSCCOC1(C)CCC1
InChIInChI=1S/C8H16OS/c1-8(4-3-5-8)9-6-7-10-2/h3-7H2,1-2H3
InChIKeyCTQGVENSFCMCNF-UHFFFAOYSA-N
XLogP2.31
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.28
LogP ≤ 52.31
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-methyl-1-(2-methylsulfanylethoxy)cyclobutane?
The IUPAC name of 1-methyl-1-(2-methylsulfanylethoxy)cyclobutane (CID 58894082) is 1-methyl-1-(2-methylsulfanylethoxy)cyclobutane.
What is the SMILES notation for 1-methyl-1-(2-methylsulfanylethoxy)cyclobutane?
The canonical SMILES for 1-methyl-1-(2-methylsulfanylethoxy)cyclobutane is CSCCOC1(C)CCC1.
What is the InChIKey of 1-methyl-1-(2-methylsulfanylethoxy)cyclobutane?
The InChIKey is CTQGVENSFCMCNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16OS/c1-8(4-3-5-8)9-6-7-10-2/h3-7H2,1-2H3.
What are the key properties of 1-methyl-1-(2-methylsulfanylethoxy)cyclobutane?
1-methyl-1-(2-methylsulfanylethoxy)cyclobutane has a molecular weight of 160.28 g/mol, XLogP of 2.31, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-(2-methylsulfanylethoxy)cyclobutane is sourced from PubChem (CID 58894082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).