[2-(acetyloxymethyl)-2-methyl-3-oxopentyl] acetate

C11H18O5 — CID 122525361

IUPAC[2-(acetyloxymethyl)-2-methyl-3-oxopentyl] acetate
SMILESCCC(=O)C(C)(COC(C)=O)COC(C)=O
InChIInChI=1S/C11H18O5/c1-5-10(14)11(4,6-15-8(2)12)7-16-9(3)13/h5-7H2,1-4H3
InChIKeyBJTSFQPHYYPYFV-UHFFFAOYSA-N
MW230.26 g/mol
LogP1.10
Rot. Bonds6

About [2-(acetyloxymethyl)-2-methyl-3-oxopentyl] acetate

[2-(acetyloxymethyl)-2-methyl-3-oxopentyl] acetate (PubChem CID 122525361) has the molecular formula C11H18O5 and a molecular weight of 230.26 g/mol. Its IUPAC name is [2-(acetyloxymethyl)-2-methyl-3-oxopentyl] acetate.

Molecular Properties

Compound Name[2-(acetyloxymethyl)-2-methyl-3-oxopentyl] acetate
PubChem CID122525361
Molecular FormulaC11H18O5
Molecular Weight230.26 g/mol
Exact Mass230.12
IUPAC Name[2-(acetyloxymethyl)-2-methyl-3-oxopentyl] acetate
SMILESCCC(=O)C(C)(COC(C)=O)COC(C)=O
InChIInChI=1S/C11H18O5/c1-5-10(14)11(4,6-15-8(2)12)7-16-9(3)13/h5-7H2,1-4H3
InChIKeyBJTSFQPHYYPYFV-UHFFFAOYSA-N
XLogP1.10
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2,2-dimethylpropyl acetate
CID 13552
(3-acetyloxy-2,2-dimethylpropyl) propanoate
CID 20633683
[(2R)-2-amino-3-hydroxy-2-methylpropyl] acetate
CID 10844523
(2-methyl-2-tellanylbutyl) acetate
CID 175046736
acetyl acetate;(3-acetyloxy-2,2-dimethylpropyl) acetate;2,2-dimethylpropane-1,3-diol;methane
CID 157216906
(2,2-diethyl-3,3-dimethylbutyl) acetate
CID 21363584
(2-methyl-2-propylpentyl) acetate
CID 89417633
[3-acetyloxy-2,2-bis(acetyloxymethyl)propyl] propanoate
CID 22964769
2,2-difluorobutyl acetate
CID 58275605
(3-acetyloxy-2,2-difluoropropyl) acetate
CID 59792531
ethanol;ethyl acetate
CID 173022006
(2-carboxyoxy-2-methylpropyl) acetate
CID 151546232

Frequently Asked Questions

What is the IUPAC name of [2-(acetyloxymethyl)-2-methyl-3-oxopentyl] acetate?
The IUPAC name of [2-(acetyloxymethyl)-2-methyl-3-oxopentyl] acetate (CID 122525361) is [2-(acetyloxymethyl)-2-methyl-3-oxopentyl] acetate.
What is the SMILES notation for [2-(acetyloxymethyl)-2-methyl-3-oxopentyl] acetate?
The canonical SMILES for [2-(acetyloxymethyl)-2-methyl-3-oxopentyl] acetate is CCC(=O)C(C)(COC(C)=O)COC(C)=O.
What is the InChIKey of [2-(acetyloxymethyl)-2-methyl-3-oxopentyl] acetate?
The InChIKey is BJTSFQPHYYPYFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O5/c1-5-10(14)11(4,6-15-8(2)12)7-16-9(3)13/h5-7H2,1-4H3.
What are the key properties of [2-(acetyloxymethyl)-2-methyl-3-oxopentyl] acetate?
[2-(acetyloxymethyl)-2-methyl-3-oxopentyl] acetate has a molecular weight of 230.26 g/mol, XLogP of 1.10, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(acetyloxymethyl)-2-methyl-3-oxopentyl] acetate is sourced from PubChem (CID 122525361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).