ethyl 3-(3-ethoxy-2,2-dimethyl-3-oxopropoxy)carbonyloxy-2,2-dimethylpropanoate

C15H26O7 — CID 87257255

IUPACethyl 3-(3-ethoxy-2,2-dimethyl-3-oxopropoxy)carbonyloxy-2,2-dimethylpropanoate
SMILESCCOC(=O)C(C)(C)COC(=O)OCC(C)(C)C(=O)OCC
InChIInChI=1S/C15H26O7/c1-7-19-11(16)14(3,4)9-21-13(18)22-10-15(5,6)12(17)20-8-2/h7-10H2,1-6H3
InChIKeyKDZBUZXQDGOCBY-UHFFFAOYSA-N
MW318.37 g/mol
LogP2.32
Rot. Bonds8

About ethyl 3-(3-ethoxy-2,2-dimethyl-3-oxopropoxy)carbonyloxy-2,2-dimethylpropanoate

ethyl 3-(3-ethoxy-2,2-dimethyl-3-oxopropoxy)carbonyloxy-2,2-dimethylpropanoate (PubChem CID 87257255) has the molecular formula C15H26O7 and a molecular weight of 318.37 g/mol. Its IUPAC name is ethyl 3-(3-ethoxy-2,2-dimethyl-3-oxopropoxy)carbonyloxy-2,2-dimethylpropanoate.

Molecular Properties

Compound Nameethyl 3-(3-ethoxy-2,2-dimethyl-3-oxopropoxy)carbonyloxy-2,2-dimethylpropanoate
PubChem CID87257255
Molecular FormulaC15H26O7
Molecular Weight318.37 g/mol
Exact Mass318.17
IUPAC Nameethyl 3-(3-ethoxy-2,2-dimethyl-3-oxopropoxy)carbonyloxy-2,2-dimethylpropanoate
SMILESCCOC(=O)C(C)(C)COC(=O)OCC(C)(C)C(=O)OCC
InChIInChI=1S/C15H26O7/c1-7-19-11(16)14(3,4)9-21-13(18)22-10-15(5,6)12(17)20-8-2/h7-10H2,1-6H3
InChIKeyKDZBUZXQDGOCBY-UHFFFAOYSA-N
XLogP2.32
TPSA88.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

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Related Compounds

ethyl 3-chlorosulfanyloxy-2,2-dimethylpropanoate
CID 142554526
ethyl 2-(ethoxycarbonyloxymethyl)-2-methylbutanoate
CID 122517287
ethyl 2-(ethoxycarbonyloxymethyl)-2-methylpentanoate
CID 122517397
ethyl 2,2,5,5-tetramethyl-4-oxohexanoate
CID 88882076
diethyl 3-(1-ethoxy-2-methyl-1-oxopropan-2-yl)-2,2,5,5-tetramethylhexanedioate
CID 141254947
ethyl 3-[2,2-dimethylpropyl-(3-ethoxy-2,2-dimethyl-3-oxopropoxy)phosphoryl]oxy-2,2-dimethylpropanoate
CID 177089337
ethyl 3-(dimethylamino)-2,2-dimethylpropanoate
CID 129270991
ethyl 2,2-dimethylpropanoate;hydrochloride
CID 141019550
ethyl 5-chloro-2,2,4,4-tetramethyl-5-oxopentanoate
CID 134256135
ethyl 2,2,5-trimethyl-4-oxohexanoate
CID 59702392
[2,2-dimethyl-3-(2-methylbutanoyloxy)propyl] 2,2-dimethyl-3-(2-methylbutanoyloxy)propanoate
CID 59988006
ethyl 4-azido-2,2-dimethylbutanoate
CID 150968965

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(3-ethoxy-2,2-dimethyl-3-oxopropoxy)carbonyloxy-2,2-dimethylpropanoate?
The IUPAC name of ethyl 3-(3-ethoxy-2,2-dimethyl-3-oxopropoxy)carbonyloxy-2,2-dimethylpropanoate (CID 87257255) is ethyl 3-(3-ethoxy-2,2-dimethyl-3-oxopropoxy)carbonyloxy-2,2-dimethylpropanoate.
What is the SMILES notation for ethyl 3-(3-ethoxy-2,2-dimethyl-3-oxopropoxy)carbonyloxy-2,2-dimethylpropanoate?
The canonical SMILES for ethyl 3-(3-ethoxy-2,2-dimethyl-3-oxopropoxy)carbonyloxy-2,2-dimethylpropanoate is CCOC(=O)C(C)(C)COC(=O)OCC(C)(C)C(=O)OCC.
What is the InChIKey of ethyl 3-(3-ethoxy-2,2-dimethyl-3-oxopropoxy)carbonyloxy-2,2-dimethylpropanoate?
The InChIKey is KDZBUZXQDGOCBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O7/c1-7-19-11(16)14(3,4)9-21-13(18)22-10-15(5,6)12(17)20-8-2/h7-10H2,1-6H3.
What are the key properties of ethyl 3-(3-ethoxy-2,2-dimethyl-3-oxopropoxy)carbonyloxy-2,2-dimethylpropanoate?
ethyl 3-(3-ethoxy-2,2-dimethyl-3-oxopropoxy)carbonyloxy-2,2-dimethylpropanoate has a molecular weight of 318.37 g/mol, XLogP of 2.32, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(3-ethoxy-2,2-dimethyl-3-oxopropoxy)carbonyloxy-2,2-dimethylpropanoate is sourced from PubChem (CID 87257255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).