2-(1-methoxypropan-2-ylsulfanyl)-2-methylpropane

C8H18OS — CID 130644428

IUPAC2-(1-methoxypropan-2-ylsulfanyl)-2-methylpropane
SMILESCOCC(C)SC(C)(C)C
InChIInChI=1S/C8H18OS/c1-7(6-9-5)10-8(2,3)4/h7H,6H2,1-5H3
InChIKeyBROOPEQBYXWOJN-UHFFFAOYSA-N
MW162.30 g/mol
LogP2.55
Rot. Bonds3

About 2-(1-methoxypropan-2-ylsulfanyl)-2-methylpropane

2-(1-methoxypropan-2-ylsulfanyl)-2-methylpropane (PubChem CID 130644428) has the molecular formula C8H18OS and a molecular weight of 162.30 g/mol. Its IUPAC name is 2-(1-methoxypropan-2-ylsulfanyl)-2-methylpropane.

Molecular Properties

Compound Name2-(1-methoxypropan-2-ylsulfanyl)-2-methylpropane
PubChem CID130644428
Molecular FormulaC8H18OS
Molecular Weight162.30 g/mol
Exact Mass162.11
IUPAC Name2-(1-methoxypropan-2-ylsulfanyl)-2-methylpropane
SMILESCOCC(C)SC(C)(C)C
InChIInChI=1S/C8H18OS/c1-7(6-9-5)10-8(2,3)4/h7H,6H2,1-5H3
InChIKeyBROOPEQBYXWOJN-UHFFFAOYSA-N
XLogP2.55
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.30
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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2-Butylthio-1-(2-butylthioethoxy)ethane
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1-[2-(2-Propylsulfanylethoxy)ethylsulfanyl]propane
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2-[2-(2-Propan-2-ylsulfanylethoxy)ethylsulfanyl]propane
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Bis(1-butoxyethyl) sulfide
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Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxypropan-2-ylsulfanyl)-2-methylpropane?
The IUPAC name of 2-(1-methoxypropan-2-ylsulfanyl)-2-methylpropane (CID 130644428) is 2-(1-methoxypropan-2-ylsulfanyl)-2-methylpropane.
What is the SMILES notation for 2-(1-methoxypropan-2-ylsulfanyl)-2-methylpropane?
The canonical SMILES for 2-(1-methoxypropan-2-ylsulfanyl)-2-methylpropane is COCC(C)SC(C)(C)C.
What is the InChIKey of 2-(1-methoxypropan-2-ylsulfanyl)-2-methylpropane?
The InChIKey is BROOPEQBYXWOJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18OS/c1-7(6-9-5)10-8(2,3)4/h7H,6H2,1-5H3.
What are the key properties of 2-(1-methoxypropan-2-ylsulfanyl)-2-methylpropane?
2-(1-methoxypropan-2-ylsulfanyl)-2-methylpropane has a molecular weight of 162.30 g/mol, XLogP of 2.55, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxypropan-2-ylsulfanyl)-2-methylpropane is sourced from PubChem (CID 130644428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).