2-(ethylsulfanylmethoxy)-2-methylpropane

C7H16OS — CID 101098324

IUPAC2-(ethylsulfanylmethoxy)-2-methylpropane
SMILESCCSCOC(C)(C)C
InChIInChI=1S/C7H16OS/c1-5-9-6-8-7(2,3)4/h5-6H2,1-4H3
InChIKeyJZUHQABDZVGHDH-UHFFFAOYSA-N
MW148.27 g/mol
LogP2.51
Rot. Bonds3

About 2-(ethylsulfanylmethoxy)-2-methylpropane

2-(ethylsulfanylmethoxy)-2-methylpropane (PubChem CID 101098324) has the molecular formula C7H16OS and a molecular weight of 148.27 g/mol. Its IUPAC name is 2-(ethylsulfanylmethoxy)-2-methylpropane.

Molecular Properties

Compound Name2-(ethylsulfanylmethoxy)-2-methylpropane
PubChem CID101098324
Molecular FormulaC7H16OS
Molecular Weight148.27 g/mol
Exact Mass148.09
IUPAC Name2-(ethylsulfanylmethoxy)-2-methylpropane
SMILESCCSCOC(C)(C)C
InChIInChI=1S/C7H16OS/c1-5-9-6-8-7(2,3)4/h5-6H2,1-4H3
InChIKeyJZUHQABDZVGHDH-UHFFFAOYSA-N
XLogP2.51
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.27
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-Methyl-2-{[(propylsulfanyl)ethynyl]oxy}propane
CID 12714703
2-(2-Ethylsulfanylethynoxy)-2-methylpropane
CID 135083984
2-Methoxy-2-propan-2-ylsulfanylpropane
CID 18710055
2-Ethoxy-2-methyl-1-methylsulfanylpropane
CID 20798622
2-Methoxy-2-methyl-1-methylsulfanylpropane
CID 21613151
2-(2-Tert-butylsulfanylethoxy)-2-methylpropane
CID 57887445
2-(Ethylsulfinylmethoxy)-2-methylpropane
CID 57890196
2-Methyl-2-(2-methylsulfanylethoxy)propane
CID 57917148
Tert-butyl-methylidene-[(2-methylpropan-2-yl)oxymethyl]-lambda4-sulfane
CID 58200121
2-Methyl-2-(3-methylsulfanylpropoxy)propane
CID 58894079
2-(2-Methoxyethylsulfanyl)-2-methylpropane
CID 86114564
3-Methoxy-3-methylthietane
CID 89013670

Frequently Asked Questions

What is the IUPAC name of 2-(ethylsulfanylmethoxy)-2-methylpropane?
The IUPAC name of 2-(ethylsulfanylmethoxy)-2-methylpropane (CID 101098324) is 2-(ethylsulfanylmethoxy)-2-methylpropane.
What is the SMILES notation for 2-(ethylsulfanylmethoxy)-2-methylpropane?
The canonical SMILES for 2-(ethylsulfanylmethoxy)-2-methylpropane is CCSCOC(C)(C)C.
What is the InChIKey of 2-(ethylsulfanylmethoxy)-2-methylpropane?
The InChIKey is JZUHQABDZVGHDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16OS/c1-5-9-6-8-7(2,3)4/h5-6H2,1-4H3.
What are the key properties of 2-(ethylsulfanylmethoxy)-2-methylpropane?
2-(ethylsulfanylmethoxy)-2-methylpropane has a molecular weight of 148.27 g/mol, XLogP of 2.51, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylsulfanylmethoxy)-2-methylpropane is sourced from PubChem (CID 101098324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).