dipropyl 2-ethyl-2-methylbutanedioate

C13H24O4 — CID 57222519

IUPACdipropyl 2-ethyl-2-methylbutanedioate
SMILESCCCOC(=O)CC(C)(CC)C(=O)OCCC
InChIInChI=1S/C13H24O4/c1-5-8-16-11(14)10-13(4,7-3)12(15)17-9-6-2/h5-10H2,1-4H3
InChIKeyOQUFMGPSRFCYJE-UHFFFAOYSA-N
MW244.33 g/mol
LogP2.70
Rot. Bonds8

About dipropyl 2-ethyl-2-methylbutanedioate

dipropyl 2-ethyl-2-methylbutanedioate (PubChem CID 57222519) has the molecular formula C13H24O4 and a molecular weight of 244.33 g/mol. Its IUPAC name is dipropyl 2-ethyl-2-methylbutanedioate.

Molecular Properties

Compound Namedipropyl 2-ethyl-2-methylbutanedioate
PubChem CID57222519
Molecular FormulaC13H24O4
Molecular Weight244.33 g/mol
Exact Mass244.17
IUPAC Namedipropyl 2-ethyl-2-methylbutanedioate
SMILESCCCOC(=O)CC(C)(CC)C(=O)OCCC
InChIInChI=1S/C13H24O4/c1-5-8-16-11(14)10-13(4,7-3)12(15)17-9-6-2/h5-10H2,1-4H3
InChIKeyOQUFMGPSRFCYJE-UHFFFAOYSA-N
XLogP2.70
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-O-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl] 4-O-propyl 2-ethyl-2-methylbutanedioate
CID 140943165
propyl 3-methoxy-3-methylbutanoate
CID 103021036
propyl (2S)-2-amino-2-methylbutanoate
CID 92977098
propyl 4-amino-3-hydroxy-3-methylbutanoate
CID 66001793
[3-[2-[3-(2-ethyl-2-methylbutanoyl)oxy-2-[(2-ethyl-2-methylbutanoyl)oxymethyl]-2-methylpropanoyl]oxyethoxy]-2-[(2-ethyl-2-methylbutanoyl)oxymethyl]-2-methyl-3-oxopropyl] 2-ethyl-2-methylbutanoate
CID 58085190
propyl 2-amino-2-methylpropanoate;hydrochloride
CID 134284248
2-hydroxy-4-oxo-2-(2-oxo-2-propoxyethyl)-4-propoxybutanoic acid
CID 57202719
propyl 3,3-dimethyl-5-propoxypentanoate
CID 153309922
1-O-butyl 5-O-ethyl 4-ethyl-2,2,4-trimethylpentanedioate
CID 157284410
propyl 2,2-difluorobutanoate
CID 88537819
heptadecyl 2-ethyl-2-methyldodecanoate
CID 175595439
octadecyl 2-(hydroxymethyl)-2-methylbutanoate
CID 58709243

Frequently Asked Questions

What is the IUPAC name of dipropyl 2-ethyl-2-methylbutanedioate?
The IUPAC name of dipropyl 2-ethyl-2-methylbutanedioate (CID 57222519) is dipropyl 2-ethyl-2-methylbutanedioate.
What is the SMILES notation for dipropyl 2-ethyl-2-methylbutanedioate?
The canonical SMILES for dipropyl 2-ethyl-2-methylbutanedioate is CCCOC(=O)CC(C)(CC)C(=O)OCCC.
What is the InChIKey of dipropyl 2-ethyl-2-methylbutanedioate?
The InChIKey is OQUFMGPSRFCYJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O4/c1-5-8-16-11(14)10-13(4,7-3)12(15)17-9-6-2/h5-10H2,1-4H3.
What are the key properties of dipropyl 2-ethyl-2-methylbutanedioate?
dipropyl 2-ethyl-2-methylbutanedioate has a molecular weight of 244.33 g/mol, XLogP of 2.70, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dipropyl 2-ethyl-2-methylbutanedioate is sourced from PubChem (CID 57222519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).