2,2-dimethylpropyl 2-butanoyloxy-2-methylpropanoate

C13H24O4 — CID 163209297

IUPAC2,2-dimethylpropyl 2-butanoyloxy-2-methylpropanoate
SMILESCCCC(=O)OC(C)(C)C(=O)OCC(C)(C)C
InChIInChI=1S/C13H24O4/c1-7-8-10(14)17-13(5,6)11(15)16-9-12(2,3)4/h7-9H2,1-6H3
InChIKeySHVIBJPVVTXBDD-UHFFFAOYSA-N
MW244.33 g/mol
LogP2.70
Rot. Bonds5

About 2,2-dimethylpropyl 2-butanoyloxy-2-methylpropanoate

2,2-dimethylpropyl 2-butanoyloxy-2-methylpropanoate (PubChem CID 163209297) has the molecular formula C13H24O4 and a molecular weight of 244.33 g/mol. Its IUPAC name is 2,2-dimethylpropyl 2-butanoyloxy-2-methylpropanoate.

Molecular Properties

Compound Name2,2-dimethylpropyl 2-butanoyloxy-2-methylpropanoate
PubChem CID163209297
Molecular FormulaC13H24O4
Molecular Weight244.33 g/mol
Exact Mass244.17
IUPAC Name2,2-dimethylpropyl 2-butanoyloxy-2-methylpropanoate
SMILESCCCC(=O)OC(C)(C)C(=O)OCC(C)(C)C
InChIInChI=1S/C13H24O4/c1-7-8-10(14)17-13(5,6)11(15)16-9-12(2,3)4/h7-9H2,1-6H3
InChIKeySHVIBJPVVTXBDD-UHFFFAOYSA-N
XLogP2.70
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
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

ethyl 2-(2-cyanoacetyl)oxy-2-methylpropanoate
CID 11344645
2-sulfanylpropan-2-yl butanoate
CID 142081562
butyl 2-methyl-2-propanoyloxypropanoate
CID 153381899
4-butanoyloxy-3,4-dimethylpent-2-enoic acid
CID 54542572
2,2-dimethylpropyl tetradecanoate
CID 14402139
ethyl (1,2-13C2)butanoate
CID 157463359
ethyl butanoate
CID 7762
2,2-dimethylpropyl 2-tert-butyl-2,3,3-trimethylbutanoate
CID 153493812
2,2-dimethylpropyl 2,2-dichloropropanoate
CID 90264258
[3,3-dimethyl-2,2-di(octanoyloxy)butyl] octanoate
CID 140533255
[3-(2,2-dimethylpropoxy)-2-hydroxypropyl] butanoate
CID 118263382
carbamic acid;2,2-dimethylpropyl 2,2-dimethylpropanoate
CID 175568582

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylpropyl 2-butanoyloxy-2-methylpropanoate?
The IUPAC name of 2,2-dimethylpropyl 2-butanoyloxy-2-methylpropanoate (CID 163209297) is 2,2-dimethylpropyl 2-butanoyloxy-2-methylpropanoate.
What is the SMILES notation for 2,2-dimethylpropyl 2-butanoyloxy-2-methylpropanoate?
The canonical SMILES for 2,2-dimethylpropyl 2-butanoyloxy-2-methylpropanoate is CCCC(=O)OC(C)(C)C(=O)OCC(C)(C)C.
What is the InChIKey of 2,2-dimethylpropyl 2-butanoyloxy-2-methylpropanoate?
The InChIKey is SHVIBJPVVTXBDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O4/c1-7-8-10(14)17-13(5,6)11(15)16-9-12(2,3)4/h7-9H2,1-6H3.
What are the key properties of 2,2-dimethylpropyl 2-butanoyloxy-2-methylpropanoate?
2,2-dimethylpropyl 2-butanoyloxy-2-methylpropanoate has a molecular weight of 244.33 g/mol, XLogP of 2.70, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylpropyl 2-butanoyloxy-2-methylpropanoate is sourced from PubChem (CID 163209297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).