ethyl 5-(2-methoxypropanoyloxy)-2,4-dimethylpentanoate

C13H24O5 — CID 20725148

IUPACethyl 5-(2-methoxypropanoyloxy)-2,4-dimethylpentanoate
SMILESCCOC(=O)C(C)CC(C)COC(=O)C(C)OC
InChIInChI=1S/C13H24O5/c1-6-17-12(14)10(3)7-9(2)8-18-13(15)11(4)16-5/h9-11H,6-8H2,1-5H3
InChIKeyWYAQSBGPQPYYPC-UHFFFAOYSA-N
MW260.33 g/mol
LogP1.79
Rot. Bonds8

About ethyl 5-(2-methoxypropanoyloxy)-2,4-dimethylpentanoate

ethyl 5-(2-methoxypropanoyloxy)-2,4-dimethylpentanoate (PubChem CID 20725148) has the molecular formula C13H24O5 and a molecular weight of 260.33 g/mol. Its IUPAC name is ethyl 5-(2-methoxypropanoyloxy)-2,4-dimethylpentanoate.

Molecular Properties

Compound Nameethyl 5-(2-methoxypropanoyloxy)-2,4-dimethylpentanoate
PubChem CID20725148
Molecular FormulaC13H24O5
Molecular Weight260.33 g/mol
Exact Mass260.16
IUPAC Nameethyl 5-(2-methoxypropanoyloxy)-2,4-dimethylpentanoate
SMILESCCOC(=O)C(C)CC(C)COC(=O)C(C)OC
InChIInChI=1S/C13H24O5/c1-6-17-12(14)10(3)7-9(2)8-18-13(15)11(4)16-5/h9-11H,6-8H2,1-5H3
InChIKeyWYAQSBGPQPYYPC-UHFFFAOYSA-N
XLogP1.79
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl (2R,4R)-2,4-dimethylhexanoate
CID 143853541
ethyl 2-methoxypropanoate;2-methoxypropanoic acid
CID 161483069
ethyl (2R,4S,6S)-6-hydroxy-2,4-dimethylheptanoate
CID 11008997
ethyl (2R,4S)-4-hydroxy-2-methylpentanoate
CID 163005989
ethyl 2-methoxycarbonyloxypropanoate
CID 14620012
ethyl (2S)-3-acetamido-2-methylpropanoate
CID 15606037
methyl (2R,4S)-2,4-dimethylnonanoate
CID 163049093
2-fluorobutyl 2-methoxypropanoate
CID 88537574
ethyl 3-(1-ethoxy-1-oxopropan-2-yl)oxycarbonyloxy-2-methylpropanoate
CID 58928740
methyl 2,4,8-trimethylundecanoate
CID 560442
ethyl (2S)-2-[(2S)-1-ethoxy-1-oxopropan-2-yl]oxypropanoate
CID 11218228
6-ethoxy-3-ethoxycarbonyl-2,5-dimethyl-6-oxohexanoic acid
CID 59867004

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(2-methoxypropanoyloxy)-2,4-dimethylpentanoate?
The IUPAC name of ethyl 5-(2-methoxypropanoyloxy)-2,4-dimethylpentanoate (CID 20725148) is ethyl 5-(2-methoxypropanoyloxy)-2,4-dimethylpentanoate.
What is the SMILES notation for ethyl 5-(2-methoxypropanoyloxy)-2,4-dimethylpentanoate?
The canonical SMILES for ethyl 5-(2-methoxypropanoyloxy)-2,4-dimethylpentanoate is CCOC(=O)C(C)CC(C)COC(=O)C(C)OC.
What is the InChIKey of ethyl 5-(2-methoxypropanoyloxy)-2,4-dimethylpentanoate?
The InChIKey is WYAQSBGPQPYYPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O5/c1-6-17-12(14)10(3)7-9(2)8-18-13(15)11(4)16-5/h9-11H,6-8H2,1-5H3.
What are the key properties of ethyl 5-(2-methoxypropanoyloxy)-2,4-dimethylpentanoate?
ethyl 5-(2-methoxypropanoyloxy)-2,4-dimethylpentanoate has a molecular weight of 260.33 g/mol, XLogP of 1.79, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(2-methoxypropanoyloxy)-2,4-dimethylpentanoate is sourced from PubChem (CID 20725148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).