ethoxycarbonyloxymethyl 2,2-dimethylpropanoate

C9H16O5 — CID 153463655

IUPACethoxycarbonyloxymethyl 2,2-dimethylpropanoate
SMILESCCOC(=O)OCOC(=O)C(C)(C)C
InChIInChI=1S/C9H16O5/c1-5-12-8(11)14-6-13-7(10)9(2,3)4/h5-6H2,1-4H3
InChIKeyOVFPAKGLPIJCFX-UHFFFAOYSA-N
MW204.22 g/mol
LogP1.71
Rot. Bonds3

About ethoxycarbonyloxymethyl 2,2-dimethylpropanoate

ethoxycarbonyloxymethyl 2,2-dimethylpropanoate (PubChem CID 153463655) has the molecular formula C9H16O5 and a molecular weight of 204.22 g/mol. Its IUPAC name is ethoxycarbonyloxymethyl 2,2-dimethylpropanoate.

Molecular Properties

Compound Nameethoxycarbonyloxymethyl 2,2-dimethylpropanoate
PubChem CID153463655
Molecular FormulaC9H16O5
Molecular Weight204.22 g/mol
Exact Mass204.10
IUPAC Nameethoxycarbonyloxymethyl 2,2-dimethylpropanoate
SMILESCCOC(=O)OCOC(=O)C(C)(C)C
InChIInChI=1S/C9H16O5/c1-5-12-8(11)14-6-13-7(10)9(2,3)4/h5-6H2,1-4H3
InChIKeyOVFPAKGLPIJCFX-UHFFFAOYSA-N
XLogP1.71
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.22
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Pivalyloxymethyl butyrate
CID 60748
Propanoic acid, 2,2-dimethyl-, (2-methyl-1-oxopropoxy)methyl ester
CID 9834247
2,2-Dimethylpropanoyloxymethyl 2,2-dimethylpropanoate
CID 11020298
Propanoyloxymethyl 2,2-dimethylpropanoate
CID 15135438
1-(2-Methylpropanoyloxy)ethyl 2,2-dimethylpropanoate
CID 44388456
1-(Propanoyloxy)ethyl 2,2-dimethylpropanoate
CID 44388459
1-Butanoyloxyethyl 2,2-dimethylpropanoate
CID 44388482
[1-(2,2-Dimethylpropoxy)-2,2-dimethylpropyl] acetate
CID 10751218
Methylene bisisobutyrate
CID 12851389
2,2-Dimethylpropanoyloxymethoxymethyl 2,2-dimethylpropanoate
CID 20483004
Methoxymethyl 2,2-dimethylpropanoate
CID 21340916
Isobutyryloxymethyl ether
CID 54455221

Frequently Asked Questions

What is the IUPAC name of ethoxycarbonyloxymethyl 2,2-dimethylpropanoate?
The IUPAC name of ethoxycarbonyloxymethyl 2,2-dimethylpropanoate (CID 153463655) is ethoxycarbonyloxymethyl 2,2-dimethylpropanoate.
What is the SMILES notation for ethoxycarbonyloxymethyl 2,2-dimethylpropanoate?
The canonical SMILES for ethoxycarbonyloxymethyl 2,2-dimethylpropanoate is CCOC(=O)OCOC(=O)C(C)(C)C.
What is the InChIKey of ethoxycarbonyloxymethyl 2,2-dimethylpropanoate?
The InChIKey is OVFPAKGLPIJCFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O5/c1-5-12-8(11)14-6-13-7(10)9(2,3)4/h5-6H2,1-4H3.
What are the key properties of ethoxycarbonyloxymethyl 2,2-dimethylpropanoate?
ethoxycarbonyloxymethyl 2,2-dimethylpropanoate has a molecular weight of 204.22 g/mol, XLogP of 1.71, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxycarbonyloxymethyl 2,2-dimethylpropanoate is sourced from PubChem (CID 153463655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).