2-(2-propoxyethoxy)ethyl 4-methyl-3-oxopentanoate

C13H24O5 — CID 141473312

IUPAC2-(2-propoxyethoxy)ethyl 4-methyl-3-oxopentanoate
SMILESCCCOCCOCCOC(=O)CC(=O)C(C)C
InChIInChI=1S/C13H24O5/c1-4-5-16-6-7-17-8-9-18-13(15)10-12(14)11(2)3/h11H,4-10H2,1-3H3
InChIKeyYUWSQTXUPRVRFD-UHFFFAOYSA-N
MW260.33 g/mol
LogP1.59
Rot. Bonds11

About 2-(2-propoxyethoxy)ethyl 4-methyl-3-oxopentanoate

2-(2-propoxyethoxy)ethyl 4-methyl-3-oxopentanoate (PubChem CID 141473312) has the molecular formula C13H24O5 and a molecular weight of 260.33 g/mol. Its IUPAC name is 2-(2-propoxyethoxy)ethyl 4-methyl-3-oxopentanoate.

Molecular Properties

Compound Name2-(2-propoxyethoxy)ethyl 4-methyl-3-oxopentanoate
PubChem CID141473312
Molecular FormulaC13H24O5
Molecular Weight260.33 g/mol
Exact Mass260.16
IUPAC Name2-(2-propoxyethoxy)ethyl 4-methyl-3-oxopentanoate
SMILESCCCOCCOCCOC(=O)CC(=O)C(C)C
InChIInChI=1S/C13H24O5/c1-4-5-16-6-7-17-8-9-18-13(15)10-12(14)11(2)3/h11H,4-10H2,1-3H3
InChIKeyYUWSQTXUPRVRFD-UHFFFAOYSA-N
XLogP1.59
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 51.59
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-(3-methyl-2-oxobutoxy)ethyl 2-propoxyacetate
CID 134509528
octyl 4-methyl-3-oxopentanoate
CID 141473290
4-methyl-1-[2-(2-propoxyethoxy)ethoxy]pentan-3-one
CID 140823499
2-[2-(2-propoxyethoxy)ethoxy]ethyl propanoate
CID 87832523
bis[2-(2-ethoxyethoxy)ethyl] propanedioate
CID 164851647
1-O-[2-[2-[3-(2-methylpropoxy)-3-oxopropanoyl]oxyethoxy]ethyl] 3-O-(2-methylpropyl) propanedioate
CID 118298690
bis[2-(2-propoxyethoxy)ethyl] 2,4-dimethylhexanedioate
CID 101278934
2-[2-(2-propoxyethoxy)ethoxy]ethyl carbamate
CID 177163981
2-[2-[2-(2-propanoyloxyethoxy)ethoxy]ethoxy]ethyl propanoate
CID 87481595
2-propoxyethyl 2-amino-3-methylpentanoate
CID 63684873
propyl 4-fluoro-3-oxohexanoate
CID 18504197
ethyl 6-methyl-3,5-dioxoheptanoate
CID 162481991

Frequently Asked Questions

What is the IUPAC name of 2-(2-propoxyethoxy)ethyl 4-methyl-3-oxopentanoate?
The IUPAC name of 2-(2-propoxyethoxy)ethyl 4-methyl-3-oxopentanoate (CID 141473312) is 2-(2-propoxyethoxy)ethyl 4-methyl-3-oxopentanoate.
What is the SMILES notation for 2-(2-propoxyethoxy)ethyl 4-methyl-3-oxopentanoate?
The canonical SMILES for 2-(2-propoxyethoxy)ethyl 4-methyl-3-oxopentanoate is CCCOCCOCCOC(=O)CC(=O)C(C)C.
What is the InChIKey of 2-(2-propoxyethoxy)ethyl 4-methyl-3-oxopentanoate?
The InChIKey is YUWSQTXUPRVRFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O5/c1-4-5-16-6-7-17-8-9-18-13(15)10-12(14)11(2)3/h11H,4-10H2,1-3H3.
What are the key properties of 2-(2-propoxyethoxy)ethyl 4-methyl-3-oxopentanoate?
2-(2-propoxyethoxy)ethyl 4-methyl-3-oxopentanoate has a molecular weight of 260.33 g/mol, XLogP of 1.59, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-propoxyethoxy)ethyl 4-methyl-3-oxopentanoate is sourced from PubChem (CID 141473312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).