(3-acetyloxy-3-methyl-4-oxopentyl) acetate

C10H16O5 — CID 57169833

IUPAC(3-acetyloxy-3-methyl-4-oxopentyl) acetate
SMILESCC(=O)OCCC(C)(OC(C)=O)C(C)=O
InChIInChI=1S/C10H16O5/c1-7(11)10(4,15-9(3)13)5-6-14-8(2)12/h5-6H2,1-4H3
InChIKeyYLLBGRGPZPLVNK-UHFFFAOYSA-N
MW216.23 g/mol
LogP0.85
Rot. Bonds5

About (3-acetyloxy-3-methyl-4-oxopentyl) acetate

(3-acetyloxy-3-methyl-4-oxopentyl) acetate (PubChem CID 57169833) has the molecular formula C10H16O5 and a molecular weight of 216.23 g/mol. Its IUPAC name is (3-acetyloxy-3-methyl-4-oxopentyl) acetate.

Molecular Properties

Compound Name(3-acetyloxy-3-methyl-4-oxopentyl) acetate
PubChem CID57169833
Molecular FormulaC10H16O5
Molecular Weight216.23 g/mol
Exact Mass216.10
IUPAC Name(3-acetyloxy-3-methyl-4-oxopentyl) acetate
SMILESCC(=O)OCCC(C)(OC(C)=O)C(C)=O
InChIInChI=1S/C10H16O5/c1-7(11)10(4,15-9(3)13)5-6-14-8(2)12/h5-6H2,1-4H3
InChIKeyYLLBGRGPZPLVNK-UHFFFAOYSA-N
XLogP0.85
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.23
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3-acetyloxy-3-methyl-4-oxopentyl) acetate?
The IUPAC name of (3-acetyloxy-3-methyl-4-oxopentyl) acetate (CID 57169833) is (3-acetyloxy-3-methyl-4-oxopentyl) acetate.
What is the SMILES notation for (3-acetyloxy-3-methyl-4-oxopentyl) acetate?
The canonical SMILES for (3-acetyloxy-3-methyl-4-oxopentyl) acetate is CC(=O)OCCC(C)(OC(C)=O)C(C)=O.
What is the InChIKey of (3-acetyloxy-3-methyl-4-oxopentyl) acetate?
The InChIKey is YLLBGRGPZPLVNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O5/c1-7(11)10(4,15-9(3)13)5-6-14-8(2)12/h5-6H2,1-4H3.
What are the key properties of (3-acetyloxy-3-methyl-4-oxopentyl) acetate?
(3-acetyloxy-3-methyl-4-oxopentyl) acetate has a molecular weight of 216.23 g/mol, XLogP of 0.85, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-acetyloxy-3-methyl-4-oxopentyl) acetate is sourced from PubChem (CID 57169833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).