2-(2-methylbutanoyloxy)propyl 2-methylbutanoate

C13H24O4 — CID 57009973

IUPAC2-(2-methylbutanoyloxy)propyl 2-methylbutanoate
SMILESCCC(C)C(=O)OCC(C)OC(=O)C(C)CC
InChIInChI=1S/C13H24O4/c1-6-9(3)12(14)16-8-11(5)17-13(15)10(4)7-2/h9-11H,6-8H2,1-5H3
InChIKeyMDBWDQSQRMQYDX-UHFFFAOYSA-N
MW244.33 g/mol
LogP2.55
Rot. Bonds7

About 2-(2-methylbutanoyloxy)propyl 2-methylbutanoate

2-(2-methylbutanoyloxy)propyl 2-methylbutanoate (PubChem CID 57009973) has the molecular formula C13H24O4 and a molecular weight of 244.33 g/mol. Its IUPAC name is 2-(2-methylbutanoyloxy)propyl 2-methylbutanoate.

Molecular Properties

Compound Name2-(2-methylbutanoyloxy)propyl 2-methylbutanoate
PubChem CID57009973
Molecular FormulaC13H24O4
Molecular Weight244.33 g/mol
Exact Mass244.17
IUPAC Name2-(2-methylbutanoyloxy)propyl 2-methylbutanoate
SMILESCCC(C)C(=O)OCC(C)OC(=O)C(C)CC
InChIInChI=1S/C13H24O4/c1-6-9(3)12(14)16-8-11(5)17-13(15)10(4)7-2/h9-11H,6-8H2,1-5H3
InChIKeyMDBWDQSQRMQYDX-UHFFFAOYSA-N
XLogP2.55
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methylpropoxy)propyl 2-methylbutanoate
CID 174484897
dibutan-2-yl 2,4-dimethylpentanedioate
CID 588548
2-(2-hydroxybutanoyloxy)propyl 2-hydroxybutanoate
CID 122574253
2-[2-[2-[2-[2-(2-hydroxypropoxy)propoxy]propoxy]propoxy]propoxy]propyl 2-methylbutanoate
CID 58444916
2-phosphonooxypropyl 2-methylbutanoate
CID 170143581
2-methylbutanoyloxymethyl 2-methylbutanoate
CID 20789926
[2-hydroxy-3-[2-hydroxy-3-[2-hydroxy-3-(2-methylbutanoyloxy)propoxy]propoxy]propyl] 2-methylbutanoate
CID 131979537
2-propylpentyl 2-methylbutanoate
CID 155014190
ethane-1,2-diol;2-(2-hydroxybutanoyloxy)propyl 2-hydroxybutanoate
CID 122574252
ethane;ethyl 2-methylbutanoate
CID 144747106
3-oxobutan-2-yl 2-methylbutanoate
CID 59653814
2-methylpentan-3-yl 2-methylbutanoate
CID 118880075

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylbutanoyloxy)propyl 2-methylbutanoate?
The IUPAC name of 2-(2-methylbutanoyloxy)propyl 2-methylbutanoate (CID 57009973) is 2-(2-methylbutanoyloxy)propyl 2-methylbutanoate.
What is the SMILES notation for 2-(2-methylbutanoyloxy)propyl 2-methylbutanoate?
The canonical SMILES for 2-(2-methylbutanoyloxy)propyl 2-methylbutanoate is CCC(C)C(=O)OCC(C)OC(=O)C(C)CC.
What is the InChIKey of 2-(2-methylbutanoyloxy)propyl 2-methylbutanoate?
The InChIKey is MDBWDQSQRMQYDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O4/c1-6-9(3)12(14)16-8-11(5)17-13(15)10(4)7-2/h9-11H,6-8H2,1-5H3.
What are the key properties of 2-(2-methylbutanoyloxy)propyl 2-methylbutanoate?
2-(2-methylbutanoyloxy)propyl 2-methylbutanoate has a molecular weight of 244.33 g/mol, XLogP of 2.55, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylbutanoyloxy)propyl 2-methylbutanoate is sourced from PubChem (CID 57009973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).