1-butan-2-yloxy-3-methyl-3-methylsulfinylbutane

C10H22O2S — CID 90181508

IUPAC1-butan-2-yloxy-3-methyl-3-methylsulfinylbutane
SMILESCCC(C)OCCC(C)(C)S(C)=O
InChIInChI=1S/C10H22O2S/c1-6-9(2)12-8-7-10(3,4)13(5)11/h9H,6-8H2,1-5H3
InChIKeyBMJQXXYRYRAWGK-UHFFFAOYSA-N
MW206.35 g/mol
LogP2.35
Rot. Bonds6

About 1-butan-2-yloxy-3-methyl-3-methylsulfinylbutane

1-butan-2-yloxy-3-methyl-3-methylsulfinylbutane (PubChem CID 90181508) has the molecular formula C10H22O2S and a molecular weight of 206.35 g/mol. Its IUPAC name is 1-butan-2-yloxy-3-methyl-3-methylsulfinylbutane.

Molecular Properties

Compound Name1-butan-2-yloxy-3-methyl-3-methylsulfinylbutane
PubChem CID90181508
Molecular FormulaC10H22O2S
Molecular Weight206.35 g/mol
Exact Mass206.13
IUPAC Name1-butan-2-yloxy-3-methyl-3-methylsulfinylbutane
SMILESCCC(C)OCCC(C)(C)S(C)=O
InChIInChI=1S/C10H22O2S/c1-6-9(2)12-8-7-10(3,4)13(5)11/h9H,6-8H2,1-5H3
InChIKeyBMJQXXYRYRAWGK-UHFFFAOYSA-N
XLogP2.35
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.35
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yloxy-3-methyl-3-methylsulfinylbutane?
The IUPAC name of 1-butan-2-yloxy-3-methyl-3-methylsulfinylbutane (CID 90181508) is 1-butan-2-yloxy-3-methyl-3-methylsulfinylbutane.
What is the SMILES notation for 1-butan-2-yloxy-3-methyl-3-methylsulfinylbutane?
The canonical SMILES for 1-butan-2-yloxy-3-methyl-3-methylsulfinylbutane is CCC(C)OCCC(C)(C)S(C)=O.
What is the InChIKey of 1-butan-2-yloxy-3-methyl-3-methylsulfinylbutane?
The InChIKey is BMJQXXYRYRAWGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O2S/c1-6-9(2)12-8-7-10(3,4)13(5)11/h9H,6-8H2,1-5H3.
What are the key properties of 1-butan-2-yloxy-3-methyl-3-methylsulfinylbutane?
1-butan-2-yloxy-3-methyl-3-methylsulfinylbutane has a molecular weight of 206.35 g/mol, XLogP of 2.35, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yloxy-3-methyl-3-methylsulfinylbutane is sourced from PubChem (CID 90181508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).