2-(ethylsulfanylmethoxy)-2-methylbutane

C8H18OS — CID 118028400

IUPAC2-(ethylsulfanylmethoxy)-2-methylbutane
SMILESCCSCOC(C)(C)CC
InChIInChI=1S/C8H18OS/c1-5-8(3,4)9-7-10-6-2/h5-7H2,1-4H3
InChIKeyJPEMCXNFOBMPGI-UHFFFAOYSA-N
MW162.30 g/mol
LogP2.90
Rot. Bonds5

About 2-(ethylsulfanylmethoxy)-2-methylbutane

2-(ethylsulfanylmethoxy)-2-methylbutane (PubChem CID 118028400) has the molecular formula C8H18OS and a molecular weight of 162.30 g/mol. Its IUPAC name is 2-(ethylsulfanylmethoxy)-2-methylbutane.

Molecular Properties

Compound Name2-(ethylsulfanylmethoxy)-2-methylbutane
PubChem CID118028400
Molecular FormulaC8H18OS
Molecular Weight162.30 g/mol
Exact Mass162.11
IUPAC Name2-(ethylsulfanylmethoxy)-2-methylbutane
SMILESCCSCOC(C)(C)CC
InChIInChI=1S/C8H18OS/c1-5-8(3,4)9-7-10-6-2/h5-7H2,1-4H3
InChIKeyJPEMCXNFOBMPGI-UHFFFAOYSA-N
XLogP2.90
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.30
LogP ≤ 52.90
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-methyl-1-methylsulfanylpropane
CID 21613151
2-(2-Tert-butylsulfanylethoxy)-2-methylpropane
CID 57887445
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
Dimethyl-(2-methylbutan-2-yloxy)-propyl-lambda4-sulfane
CID 90944373
Methyl-[2-methyl-2-(2-methylbutan-2-yloxy)propyl]-sulfanylidene-lambda4-sulfane
CID 91403041
2-(Tert-butylsulfanylmethoxy)-2-methylpropane
CID 92006365
2-Methyl-2-(methylsulfanylmethoxy)butane
CID 118028398
2-Methyl-1-methylsulfanyl-2-(methylsulfanylmethoxy)propane
CID 121426656

Frequently Asked Questions

What is the IUPAC name of 2-(ethylsulfanylmethoxy)-2-methylbutane?
The IUPAC name of 2-(ethylsulfanylmethoxy)-2-methylbutane (CID 118028400) is 2-(ethylsulfanylmethoxy)-2-methylbutane.
What is the SMILES notation for 2-(ethylsulfanylmethoxy)-2-methylbutane?
The canonical SMILES for 2-(ethylsulfanylmethoxy)-2-methylbutane is CCSCOC(C)(C)CC.
What is the InChIKey of 2-(ethylsulfanylmethoxy)-2-methylbutane?
The InChIKey is JPEMCXNFOBMPGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18OS/c1-5-8(3,4)9-7-10-6-2/h5-7H2,1-4H3.
What are the key properties of 2-(ethylsulfanylmethoxy)-2-methylbutane?
2-(ethylsulfanylmethoxy)-2-methylbutane has a molecular weight of 162.30 g/mol, XLogP of 2.90, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylsulfanylmethoxy)-2-methylbutane is sourced from PubChem (CID 118028400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).