(3,3-dimethyl-2-oxobutyl) 2,2-dimethylpropanoate

C11H20O3 — CID 10035882

IUPAC(3,3-dimethyl-2-oxobutyl) 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)COC(=O)C(C)(C)C
InChIInChI=1S/C11H20O3/c1-10(2,3)8(12)7-14-9(13)11(4,5)6/h7H2,1-6H3
InChIKeyZBZNOBBCAFQVCN-UHFFFAOYSA-N
MW200.28 g/mol
LogP2.19
Rot. Bonds2

About (3,3-dimethyl-2-oxobutyl) 2,2-dimethylpropanoate

(3,3-dimethyl-2-oxobutyl) 2,2-dimethylpropanoate (PubChem CID 10035882) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is (3,3-dimethyl-2-oxobutyl) 2,2-dimethylpropanoate.

Molecular Properties

Compound Name(3,3-dimethyl-2-oxobutyl) 2,2-dimethylpropanoate
PubChem CID10035882
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Name(3,3-dimethyl-2-oxobutyl) 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)COC(=O)C(C)(C)C
InChIInChI=1S/C11H20O3/c1-10(2,3)8(12)7-14-9(13)11(4,5)6/h7H2,1-6H3
InChIKeyZBZNOBBCAFQVCN-UHFFFAOYSA-N
XLogP2.19
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3,3-dimethyl-2-oxobutyl) carbonochloridate
CID 87424641
ethyl 2,2-dimethylpropanoate;hydrochloride
CID 141019550
(3,3-dimethyl-2-oxobutyl) (Z)-4-oxopent-2-enoate
CID 158883051
(2-hydroxy-2-methylpropyl) 2,2-dimethylpropanoate
CID 10583373
azane;[3-fluoro-2-(hydroxymethyl)prop-2-enyl] 2,2-dimethylpropanoate
CID 175069340
2-aminooxyethyl 2,2-dimethylpropanoate
CID 130209024
[3-(2,2-dimethylpropanoyloxy)-2-methylpropyl] 2,2-dimethylpropanoate
CID 59464527
3,3-dimethyl-1-propan-2-yloxybutan-2-one
CID 43798828
carbamic acid;2,2-dimethylpropyl 2,2-dimethylpropanoate
CID 175568582
methylsulfinylmethyl 2,2-dimethylpropanoate
CID 88600432
[2-(2,2-dimethylpropanoyloxymethyl)-3,3-dimethylbutyl] 2,2-dimethylpropanoate
CID 169049082
2-(2,2,2-trifluoroacetyl)oxyethyl 2,2-dimethylpropanoate
CID 90159990

Frequently Asked Questions

What is the IUPAC name of (3,3-dimethyl-2-oxobutyl) 2,2-dimethylpropanoate?
The IUPAC name of (3,3-dimethyl-2-oxobutyl) 2,2-dimethylpropanoate (CID 10035882) is (3,3-dimethyl-2-oxobutyl) 2,2-dimethylpropanoate.
What is the SMILES notation for (3,3-dimethyl-2-oxobutyl) 2,2-dimethylpropanoate?
The canonical SMILES for (3,3-dimethyl-2-oxobutyl) 2,2-dimethylpropanoate is CC(C)(C)C(=O)COC(=O)C(C)(C)C.
What is the InChIKey of (3,3-dimethyl-2-oxobutyl) 2,2-dimethylpropanoate?
The InChIKey is ZBZNOBBCAFQVCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O3/c1-10(2,3)8(12)7-14-9(13)11(4,5)6/h7H2,1-6H3.
What are the key properties of (3,3-dimethyl-2-oxobutyl) 2,2-dimethylpropanoate?
(3,3-dimethyl-2-oxobutyl) 2,2-dimethylpropanoate has a molecular weight of 200.28 g/mol, XLogP of 2.19, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-dimethyl-2-oxobutyl) 2,2-dimethylpropanoate is sourced from PubChem (CID 10035882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).