ethyl 2-(2-ethoxycarbonyloxyethyl)-2,4-dimethylpentanoate

C14H26O5 — CID 122517263

IUPACethyl 2-(2-ethoxycarbonyloxyethyl)-2,4-dimethylpentanoate
SMILESCCOC(=O)OCCC(C)(CC(C)C)C(=O)OCC
InChIInChI=1S/C14H26O5/c1-6-17-12(15)14(5,10-11(3)4)8-9-19-13(16)18-7-2/h11H,6-10H2,1-5H3
InChIKeyJHHAZNMRUXGZBK-UHFFFAOYSA-N
MW274.36 g/mol
LogP3.17
Rot. Bonds8

About ethyl 2-(2-ethoxycarbonyloxyethyl)-2,4-dimethylpentanoate

ethyl 2-(2-ethoxycarbonyloxyethyl)-2,4-dimethylpentanoate (PubChem CID 122517263) has the molecular formula C14H26O5 and a molecular weight of 274.36 g/mol. Its IUPAC name is ethyl 2-(2-ethoxycarbonyloxyethyl)-2,4-dimethylpentanoate.

Molecular Properties

Compound Nameethyl 2-(2-ethoxycarbonyloxyethyl)-2,4-dimethylpentanoate
PubChem CID122517263
Molecular FormulaC14H26O5
Molecular Weight274.36 g/mol
Exact Mass274.18
IUPAC Nameethyl 2-(2-ethoxycarbonyloxyethyl)-2,4-dimethylpentanoate
SMILESCCOC(=O)OCCC(C)(CC(C)C)C(=O)OCC
InChIInChI=1S/C14H26O5/c1-6-17-12(15)14(5,10-11(3)4)8-9-19-13(16)18-7-2/h11H,6-10H2,1-5H3
InChIKeyJHHAZNMRUXGZBK-UHFFFAOYSA-N
XLogP3.17
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

diethyl 2,4-dimethyl-2-pentylpentanedioate
CID 59087339
ethyl 2-(ethoxycarbonyloxymethyl)-2-methylpentanoate
CID 122517397
ethyl 2-(ethoxycarbonyloxymethyl)-2-methylbutanoate
CID 122517287
prop-2-enyl 2,4-dimethyl-2-propylpentanoate
CID 166811220
ethyl 3,3,3-trifluoropropyl carbonate
CID 134583803
diethyl 2-(2-methylpropyl)-2-pentylpropanedioate
CID 103972771
diethyl 2-(5-hydroxypentyl)-2-(2-methylpropyl)propanedioate
CID 103972788
ethyl 3-ethoxycarbonyloxy-2,2-bis(2-methylpropyl)pentanoate
CID 122517412
ethyl 2,2-difluoro-3-hydroxy-3,5-dimethylhexanoate
CID 62398575
ethyl (2S)-2-amino-4-methyl-2-(trifluoromethyl)pentanoate
CID 15858333
ethyl 2,4-dimethyl-2-(2-methylpropylamino)pentanoate
CID 61001690
diethyl 2-methyl-2-[2-(3-methylbutoxy)ethyl]propanedioate
CID 103972541

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-ethoxycarbonyloxyethyl)-2,4-dimethylpentanoate?
The IUPAC name of ethyl 2-(2-ethoxycarbonyloxyethyl)-2,4-dimethylpentanoate (CID 122517263) is ethyl 2-(2-ethoxycarbonyloxyethyl)-2,4-dimethylpentanoate.
What is the SMILES notation for ethyl 2-(2-ethoxycarbonyloxyethyl)-2,4-dimethylpentanoate?
The canonical SMILES for ethyl 2-(2-ethoxycarbonyloxyethyl)-2,4-dimethylpentanoate is CCOC(=O)OCCC(C)(CC(C)C)C(=O)OCC.
What is the InChIKey of ethyl 2-(2-ethoxycarbonyloxyethyl)-2,4-dimethylpentanoate?
The InChIKey is JHHAZNMRUXGZBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O5/c1-6-17-12(15)14(5,10-11(3)4)8-9-19-13(16)18-7-2/h11H,6-10H2,1-5H3.
What are the key properties of ethyl 2-(2-ethoxycarbonyloxyethyl)-2,4-dimethylpentanoate?
ethyl 2-(2-ethoxycarbonyloxyethyl)-2,4-dimethylpentanoate has a molecular weight of 274.36 g/mol, XLogP of 3.17, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-ethoxycarbonyloxyethyl)-2,4-dimethylpentanoate is sourced from PubChem (CID 122517263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).