1-[(2-methylpropan-2-yl)oxy]ethyl 2,2-dimethylpropanoate

C11H22O3 — CID 59371128

IUPAC1-[(2-methylpropan-2-yl)oxy]ethyl 2,2-dimethylpropanoate
SMILESCC(OC(=O)C(C)(C)C)OC(C)(C)C
InChIInChI=1S/C11H22O3/c1-8(14-11(5,6)7)13-9(12)10(2,3)4/h8H,1-7H3
InChIKeyFRPIWHXDARKOFX-UHFFFAOYSA-N
MW202.29 g/mol
LogP2.74
Rot. Bonds2

About 1-[(2-methylpropan-2-yl)oxy]ethyl 2,2-dimethylpropanoate

1-[(2-methylpropan-2-yl)oxy]ethyl 2,2-dimethylpropanoate (PubChem CID 59371128) has the molecular formula C11H22O3 and a molecular weight of 202.29 g/mol. Its IUPAC name is 1-[(2-methylpropan-2-yl)oxy]ethyl 2,2-dimethylpropanoate.

Molecular Properties

Compound Name1-[(2-methylpropan-2-yl)oxy]ethyl 2,2-dimethylpropanoate
PubChem CID59371128
Molecular FormulaC11H22O3
Molecular Weight202.29 g/mol
Exact Mass202.16
IUPAC Name1-[(2-methylpropan-2-yl)oxy]ethyl 2,2-dimethylpropanoate
SMILESCC(OC(=O)C(C)(C)C)OC(C)(C)C
InChIInChI=1S/C11H22O3/c1-8(14-11(5,6)7)13-9(12)10(2,3)4/h8H,1-7H3
InChIKeyFRPIWHXDARKOFX-UHFFFAOYSA-N
XLogP2.74
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.29
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 1-[(2-methylpropan-2-yl)oxy]ethyl 2,2-dimethylpropanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-acetyloxyethyl 2,2-dimethylpropanoate;3,3-dimethylbutan-2-one
CID 158576596
2-methyl-2-propan-2-yloxypropane;propan-2-yl 2,2-dimethylpropanoate;2,2,4-trimethylpentan-3-one
CID 160553098
1-[(2-methylpropan-2-yl)oxy]ethyl 2-methylprop-2-enoate
CID 22051873
[(1S)-1-chloroethyl] 2,2-dimethylpropanoate
CID 92939031
1-ethoxycarbonyloxyethyl 2,2-dimethylpropanoate
CID 89402327
diaminomethyl 2,2-dimethylpropanoate
CID 163435332
3-(2,2-dimethylpropanoyloxy)-2,2-difluorobutanoic acid
CID 164747254
[(2S)-1-chloro-1-oxopropan-2-yl] 2,2-dimethylpropanoate
CID 18639920
1-oxopropan-2-yl 2,2-dimethylpropanoate
CID 87537011
[(2R)-1-(2,2-dimethylpropanoyloxy)-1-oxopropan-2-yl] 2,2-dimethylpropanoate
CID 59581101
[(1R,2S)-1-(2,2-dimethylpropanoyloxy)-3-methoxy-1-[(2-methylpropan-2-yl)oxy]-3-oxopropan-2-yl] 2,2-dimethylpropanoate
CID 102282445
1-(2,2-dimethylpropanoyloxy)ethyl 5-amino-4-oxopentanoate
CID 25155293

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylpropan-2-yl)oxy]ethyl 2,2-dimethylpropanoate?
The IUPAC name of 1-[(2-methylpropan-2-yl)oxy]ethyl 2,2-dimethylpropanoate (CID 59371128) is 1-[(2-methylpropan-2-yl)oxy]ethyl 2,2-dimethylpropanoate.
What is the SMILES notation for 1-[(2-methylpropan-2-yl)oxy]ethyl 2,2-dimethylpropanoate?
The canonical SMILES for 1-[(2-methylpropan-2-yl)oxy]ethyl 2,2-dimethylpropanoate is CC(OC(=O)C(C)(C)C)OC(C)(C)C.
What is the InChIKey of 1-[(2-methylpropan-2-yl)oxy]ethyl 2,2-dimethylpropanoate?
The InChIKey is FRPIWHXDARKOFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O3/c1-8(14-11(5,6)7)13-9(12)10(2,3)4/h8H,1-7H3.
What are the key properties of 1-[(2-methylpropan-2-yl)oxy]ethyl 2,2-dimethylpropanoate?
1-[(2-methylpropan-2-yl)oxy]ethyl 2,2-dimethylpropanoate has a molecular weight of 202.29 g/mol, XLogP of 2.74, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylpropan-2-yl)oxy]ethyl 2,2-dimethylpropanoate is sourced from PubChem (CID 59371128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).