acetyloxymethyl 2-ethyl-2-methylpentanoate

C11H20O4 — CID 161331360

IUPACacetyloxymethyl 2-ethyl-2-methylpentanoate
SMILESCCCC(C)(CC)C(=O)OCOC(C)=O
InChIInChI=1S/C11H20O4/c1-5-7-11(4,6-2)10(13)15-8-14-9(3)12/h5-8H2,1-4H3
InChIKeyVLLOHYCRCMQFLU-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.27
Rot. Bonds6

About acetyloxymethyl 2-ethyl-2-methylpentanoate

acetyloxymethyl 2-ethyl-2-methylpentanoate (PubChem CID 161331360) has the molecular formula C11H20O4 and a molecular weight of 216.28 g/mol. Its IUPAC name is acetyloxymethyl 2-ethyl-2-methylpentanoate.

Molecular Properties

Compound Nameacetyloxymethyl 2-ethyl-2-methylpentanoate
PubChem CID161331360
Molecular FormulaC11H20O4
Molecular Weight216.28 g/mol
Exact Mass216.14
IUPAC Nameacetyloxymethyl 2-ethyl-2-methylpentanoate
SMILESCCCC(C)(CC)C(=O)OCOC(C)=O
InChIInChI=1S/C11H20O4/c1-5-7-11(4,6-2)10(13)15-8-14-9(3)12/h5-8H2,1-4H3
InChIKeyVLLOHYCRCMQFLU-UHFFFAOYSA-N
XLogP2.27
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2,2,2-trifluoroethyl 2-ethyl-2-methylpentanoate
CID 139362815
2-ethyl-2-methylpentanamide
CID 22376566
acetyloxymethyl acetate;azane
CID 172795061
(2-methyl-2-propylpentyl) acetate
CID 89417633
methoxymethyl 2,3,3-trimethyl-2-propylpentanoate
CID 121480979
heptadecyl 2-ethyl-2-methyldodecanoate
CID 175595439
acetic acid;acetyloxymethyl acetate
CID 175421869
(2S)-2-ethyl-2-methylpentanoate
CID 86306121
(2-ethyl-2-hydroxypentyl) acetate
CID 88749584
(2-methyl-2-tellanylbutyl) acetate
CID 175046736
ethyl 2-(ethoxycarbonyloxymethyl)-2-methylpentanoate
CID 122517397
tetradecyl 2-methyl-2-propylundecanoate
CID 175595471

Frequently Asked Questions

What is the IUPAC name of acetyloxymethyl 2-ethyl-2-methylpentanoate?
The IUPAC name of acetyloxymethyl 2-ethyl-2-methylpentanoate (CID 161331360) is acetyloxymethyl 2-ethyl-2-methylpentanoate.
What is the SMILES notation for acetyloxymethyl 2-ethyl-2-methylpentanoate?
The canonical SMILES for acetyloxymethyl 2-ethyl-2-methylpentanoate is CCCC(C)(CC)C(=O)OCOC(C)=O.
What is the InChIKey of acetyloxymethyl 2-ethyl-2-methylpentanoate?
The InChIKey is VLLOHYCRCMQFLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O4/c1-5-7-11(4,6-2)10(13)15-8-14-9(3)12/h5-8H2,1-4H3.
What are the key properties of acetyloxymethyl 2-ethyl-2-methylpentanoate?
acetyloxymethyl 2-ethyl-2-methylpentanoate has a molecular weight of 216.28 g/mol, XLogP of 2.27, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetyloxymethyl 2-ethyl-2-methylpentanoate is sourced from PubChem (CID 161331360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).