3-(1-methoxypropan-2-ylsulfanyl)-2-methylpropan-1-ol

C8H18O2S — CID 66104725

IUPAC3-(1-methoxypropan-2-ylsulfanyl)-2-methylpropan-1-ol
SMILESCOCC(C)SCC(C)CO
InChIInChI=1S/C8H18O2S/c1-7(4-9)6-11-8(2)5-10-3/h7-9H,4-6H2,1-3H3
InChIKeyMXBIKWYOYJGKBQ-UHFFFAOYSA-N
MW178.30 g/mol
LogP1.38
Rot. Bonds6

About 3-(1-methoxypropan-2-ylsulfanyl)-2-methylpropan-1-ol

3-(1-methoxypropan-2-ylsulfanyl)-2-methylpropan-1-ol (PubChem CID 66104725) has the molecular formula C8H18O2S and a molecular weight of 178.30 g/mol. Its IUPAC name is 3-(1-methoxypropan-2-ylsulfanyl)-2-methylpropan-1-ol.

Molecular Properties

Compound Name3-(1-methoxypropan-2-ylsulfanyl)-2-methylpropan-1-ol
PubChem CID66104725
Molecular FormulaC8H18O2S
Molecular Weight178.30 g/mol
Exact Mass178.10
IUPAC Name3-(1-methoxypropan-2-ylsulfanyl)-2-methylpropan-1-ol
SMILESCOCC(C)SCC(C)CO
InChIInChI=1S/C8H18O2S/c1-7(4-9)6-11-8(2)5-10-3/h7-9H,4-6H2,1-3H3
InChIKeyMXBIKWYOYJGKBQ-UHFFFAOYSA-N
XLogP1.38
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.30
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1-methoxypropan-2-ylsulfanyl)-2-methylpropan-1-ol?
The IUPAC name of 3-(1-methoxypropan-2-ylsulfanyl)-2-methylpropan-1-ol (CID 66104725) is 3-(1-methoxypropan-2-ylsulfanyl)-2-methylpropan-1-ol.
What is the SMILES notation for 3-(1-methoxypropan-2-ylsulfanyl)-2-methylpropan-1-ol?
The canonical SMILES for 3-(1-methoxypropan-2-ylsulfanyl)-2-methylpropan-1-ol is COCC(C)SCC(C)CO.
What is the InChIKey of 3-(1-methoxypropan-2-ylsulfanyl)-2-methylpropan-1-ol?
The InChIKey is MXBIKWYOYJGKBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O2S/c1-7(4-9)6-11-8(2)5-10-3/h7-9H,4-6H2,1-3H3.
What are the key properties of 3-(1-methoxypropan-2-ylsulfanyl)-2-methylpropan-1-ol?
3-(1-methoxypropan-2-ylsulfanyl)-2-methylpropan-1-ol has a molecular weight of 178.30 g/mol, XLogP of 1.38, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methoxypropan-2-ylsulfanyl)-2-methylpropan-1-ol is sourced from PubChem (CID 66104725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).