2,4-dimethylpentan-2-yl 2-methylbutanoate

C12H24O2 — CID 121443885

IUPAC2,4-dimethylpentan-2-yl 2-methylbutanoate
SMILESCCC(C)C(=O)OC(C)(C)CC(C)C
InChIInChI=1S/C12H24O2/c1-7-10(4)11(13)14-12(5,6)8-9(2)3/h9-10H,7-8H2,1-6H3
InChIKeyHYGABVJACGNQRK-UHFFFAOYSA-N
MW200.32 g/mol
LogP3.40
Rot. Bonds5

About 2,4-dimethylpentan-2-yl 2-methylbutanoate

2,4-dimethylpentan-2-yl 2-methylbutanoate (PubChem CID 121443885) has the molecular formula C12H24O2 and a molecular weight of 200.32 g/mol. Its IUPAC name is 2,4-dimethylpentan-2-yl 2-methylbutanoate.

Molecular Properties

Compound Name2,4-dimethylpentan-2-yl 2-methylbutanoate
PubChem CID121443885
Molecular FormulaC12H24O2
Molecular Weight200.32 g/mol
Exact Mass200.18
IUPAC Name2,4-dimethylpentan-2-yl 2-methylbutanoate
SMILESCCC(C)C(=O)OC(C)(C)CC(C)C
InChIInChI=1S/C12H24O2/c1-7-10(4)11(13)14-12(5,6)8-9(2)3/h9-10H,7-8H2,1-6H3
InChIKeyHYGABVJACGNQRK-UHFFFAOYSA-N
XLogP3.40
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-dimethylpentan-2-yl 2-methylpropanoate
CID 58385667
bis(2,4-dimethylpentan-2-yl) carbonate
CID 87132187
[2-methyl-1-(2,2,2-trifluoroethylamino)propan-2-yl] 2-methylbutanoate
CID 157260308
1,1,1,2,3,3,3-heptafluoropropan-2-yl 2-methylbutanoate
CID 153303704
1,1,2,2,3,3-hexafluorobutyl 2-methylbutanoate
CID 129082618
3-(2,4-dimethylpentan-2-yloxy)-3-oxopropanoic acid
CID 162355559
[2,5-dimethyl-5-(2-methylbutanoylperoxy)hexan-2-yl] 2-methylbutaneperoxoate
CID 90779876
methyl 2-methylbutanoate;1,1,1-trifluoroethane
CID 91439197
2-methylbutanoyloxymethyl 2-methylbutanoate
CID 20789926
1,1,1,3,3,3-hexafluoropropan-2-yl 5-methyl-5-(2-methylbutanoyloxy)hexanoate
CID 58005005
2-methylbutan-2-yl 2-methyl-3-(oxiran-2-yl)propanoate
CID 155484065
2-phenylbutan-2-yl 2-methylbutanoate
CID 59331016

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethylpentan-2-yl 2-methylbutanoate?
The IUPAC name of 2,4-dimethylpentan-2-yl 2-methylbutanoate (CID 121443885) is 2,4-dimethylpentan-2-yl 2-methylbutanoate.
What is the SMILES notation for 2,4-dimethylpentan-2-yl 2-methylbutanoate?
The canonical SMILES for 2,4-dimethylpentan-2-yl 2-methylbutanoate is CCC(C)C(=O)OC(C)(C)CC(C)C.
What is the InChIKey of 2,4-dimethylpentan-2-yl 2-methylbutanoate?
The InChIKey is HYGABVJACGNQRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O2/c1-7-10(4)11(13)14-12(5,6)8-9(2)3/h9-10H,7-8H2,1-6H3.
What are the key properties of 2,4-dimethylpentan-2-yl 2-methylbutanoate?
2,4-dimethylpentan-2-yl 2-methylbutanoate has a molecular weight of 200.32 g/mol, XLogP of 3.40, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethylpentan-2-yl 2-methylbutanoate is sourced from PubChem (CID 121443885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).