2-(2-methylpropanoyloxy)ethyl 2,2,4-trimethyl-3-oxopentanoate

C14H24O5 — CID 521167

IUPAC2-(2-methylpropanoyloxy)ethyl 2,2,4-trimethyl-3-oxopentanoate
SMILESCC(C)C(=O)OCCOC(=O)C(C)(C)C(=O)C(C)C
InChIInChI=1S/C14H24O5/c1-9(2)11(15)14(5,6)13(17)19-8-7-18-12(16)10(3)4/h9-10H,7-8H2,1-6H3
InChIKeyKHCOOLZMVDKFHC-UHFFFAOYSA-N
MW272.34 g/mol
LogP1.98
Rot. Bonds7

About 2-(2-methylpropanoyloxy)ethyl 2,2,4-trimethyl-3-oxopentanoate

2-(2-methylpropanoyloxy)ethyl 2,2,4-trimethyl-3-oxopentanoate (PubChem CID 521167) has the molecular formula C14H24O5 and a molecular weight of 272.34 g/mol. Its IUPAC name is 2-(2-methylpropanoyloxy)ethyl 2,2,4-trimethyl-3-oxopentanoate.

Molecular Properties

Compound Name2-(2-methylpropanoyloxy)ethyl 2,2,4-trimethyl-3-oxopentanoate
PubChem CID521167
Molecular FormulaC14H24O5
Molecular Weight272.34 g/mol
Exact Mass272.16
IUPAC Name2-(2-methylpropanoyloxy)ethyl 2,2,4-trimethyl-3-oxopentanoate
SMILESCC(C)C(=O)OCCOC(=O)C(C)(C)C(=O)C(C)C
InChIInChI=1S/C14H24O5/c1-9(2)11(15)14(5,6)13(17)19-8-7-18-12(16)10(3)4/h9-10H,7-8H2,1-6H3
InChIKeyKHCOOLZMVDKFHC-UHFFFAOYSA-N
XLogP1.98
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-(2-methylpropanoyloxy)ethyl 2,2,3,3,4,4,4-heptafluorobutanoate
CID 118049016
2-(2-iodopropanoyloxy)ethyl 2-methylpropanoate
CID 166970068
[2-(2-ethoxyethoxy)-2-(2,2,4-trimethyl-3-oxopentanoyl)oxyethyl] 2,2,4-trimethyl-3-oxopentanoate
CID 123484172
(5-ethyl-2-propylphenyl)methyl 2,2,4-trimethyl-3-oxopentanoate
CID 25114646
ethyl 2,2,4-trimethyl-3-oxohexanoate
CID 63717246
bis(3-methoxybutyl) 2,2-dimethylpropanedioate
CID 101278725
2-[2-[2-(2-aminooxyethoxy)ethoxy]ethoxy]ethyl 2-methylpropanoate
CID 118600993
ethyl 4-methoxy-2,2-dimethyl-3-oxopentanoate
CID 79616726
3-aminopropyl 2-methylpropanoate
CID 59078098
tris[2-(2-methylpropanoyloxy)ethyl]azanium
CID 154048574
pent-3-ynyl 2-methylpropanoate
CID 88800531
2-(2-sulfanylethoxy)ethyl 2-methylpropanoate
CID 121415381

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropanoyloxy)ethyl 2,2,4-trimethyl-3-oxopentanoate?
The IUPAC name of 2-(2-methylpropanoyloxy)ethyl 2,2,4-trimethyl-3-oxopentanoate (CID 521167) is 2-(2-methylpropanoyloxy)ethyl 2,2,4-trimethyl-3-oxopentanoate.
What is the SMILES notation for 2-(2-methylpropanoyloxy)ethyl 2,2,4-trimethyl-3-oxopentanoate?
The canonical SMILES for 2-(2-methylpropanoyloxy)ethyl 2,2,4-trimethyl-3-oxopentanoate is CC(C)C(=O)OCCOC(=O)C(C)(C)C(=O)C(C)C.
What is the InChIKey of 2-(2-methylpropanoyloxy)ethyl 2,2,4-trimethyl-3-oxopentanoate?
The InChIKey is KHCOOLZMVDKFHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O5/c1-9(2)11(15)14(5,6)13(17)19-8-7-18-12(16)10(3)4/h9-10H,7-8H2,1-6H3.
What are the key properties of 2-(2-methylpropanoyloxy)ethyl 2,2,4-trimethyl-3-oxopentanoate?
2-(2-methylpropanoyloxy)ethyl 2,2,4-trimethyl-3-oxopentanoate has a molecular weight of 272.34 g/mol, XLogP of 1.98, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropanoyloxy)ethyl 2,2,4-trimethyl-3-oxopentanoate is sourced from PubChem (CID 521167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).