propan-2-yl 2-acetyloxy-4-methylsulfanylbutanoate

C10H18O4S — CID 56630817

IUPACpropan-2-yl 2-acetyloxy-4-methylsulfanylbutanoate
SMILESCSCCC(OC(C)=O)C(=O)OC(C)C
InChIInChI=1S/C10H18O4S/c1-7(2)13-10(12)9(5-6-15-4)14-8(3)11/h7,9H,5-6H2,1-4H3
InChIKeyHDUXRWZHRHHNDO-UHFFFAOYSA-N
MW234.32 g/mol
LogP1.62
Rot. Bonds6

About propan-2-yl 2-acetyloxy-4-methylsulfanylbutanoate

propan-2-yl 2-acetyloxy-4-methylsulfanylbutanoate (PubChem CID 56630817) has the molecular formula C10H18O4S and a molecular weight of 234.32 g/mol. Its IUPAC name is propan-2-yl 2-acetyloxy-4-methylsulfanylbutanoate.

Molecular Properties

Compound Namepropan-2-yl 2-acetyloxy-4-methylsulfanylbutanoate
PubChem CID56630817
Molecular FormulaC10H18O4S
Molecular Weight234.32 g/mol
Exact Mass234.09
IUPAC Namepropan-2-yl 2-acetyloxy-4-methylsulfanylbutanoate
SMILESCSCCC(OC(C)=O)C(=O)OC(C)C
InChIInChI=1S/C10H18O4S/c1-7(2)13-10(12)9(5-6-15-4)14-8(3)11/h7,9H,5-6H2,1-4H3
InChIKeyHDUXRWZHRHHNDO-UHFFFAOYSA-N
XLogP1.62
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-acetyloxy-4-methylsulfanylbutanoate?
The IUPAC name of propan-2-yl 2-acetyloxy-4-methylsulfanylbutanoate (CID 56630817) is propan-2-yl 2-acetyloxy-4-methylsulfanylbutanoate.
What is the SMILES notation for propan-2-yl 2-acetyloxy-4-methylsulfanylbutanoate?
The canonical SMILES for propan-2-yl 2-acetyloxy-4-methylsulfanylbutanoate is CSCCC(OC(C)=O)C(=O)OC(C)C.
What is the InChIKey of propan-2-yl 2-acetyloxy-4-methylsulfanylbutanoate?
The InChIKey is HDUXRWZHRHHNDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O4S/c1-7(2)13-10(12)9(5-6-15-4)14-8(3)11/h7,9H,5-6H2,1-4H3.
What are the key properties of propan-2-yl 2-acetyloxy-4-methylsulfanylbutanoate?
propan-2-yl 2-acetyloxy-4-methylsulfanylbutanoate has a molecular weight of 234.32 g/mol, XLogP of 1.62, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-acetyloxy-4-methylsulfanylbutanoate is sourced from PubChem (CID 56630817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).