ethyl 5,5,5-triethoxypentanoate

C13H26O5 — CID 14860744

IUPACethyl 5,5,5-triethoxypentanoate
SMILESCCOC(=O)CCCC(OCC)(OCC)OCC
InChIInChI=1S/C13H26O5/c1-5-15-12(14)10-9-11-13(16-6-2,17-7-3)18-8-4/h5-11H2,1-4H3
InChIKeySNQHSPPWGLMZNI-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.48
Rot. Bonds11

About ethyl 5,5,5-triethoxypentanoate

ethyl 5,5,5-triethoxypentanoate (PubChem CID 14860744) has the molecular formula C13H26O5 and a molecular weight of 262.35 g/mol. Its IUPAC name is ethyl 5,5,5-triethoxypentanoate.

Molecular Properties

Compound Nameethyl 5,5,5-triethoxypentanoate
PubChem CID14860744
Molecular FormulaC13H26O5
Molecular Weight262.35 g/mol
Exact Mass262.18
IUPAC Nameethyl 5,5,5-triethoxypentanoate
SMILESCCOC(=O)CCCC(OCC)(OCC)OCC
InChIInChI=1S/C13H26O5/c1-5-15-12(14)10-9-11-13(16-6-2,17-7-3)18-8-4/h5-11H2,1-4H3
InChIKeySNQHSPPWGLMZNI-UHFFFAOYSA-N
XLogP2.48
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.48
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

diethyl hexanedioate
CID 160747628
diethyl icosanedioate
CID 5058538
ethyl 5-methyl-5-propyloctanoate
CID 134441351
ethyl 4,4-diethoxypentanoate
CID 523027
diethyl 2,2-diethylhexanedioate
CID 138680184
ethyl 5-acetyl-5-bromo-6-oxoheptanoate
CID 24770456
ethyl 5-methyl-5-nitrosohexanoate
CID 155052190
ethyl 5,5-dimethyl-6-oxooctanoate
CID 101191402
1-O-ethyl 5-O-(methoxymethyl) pentanedioate
CID 174421826
(2R)-2-chloro-6-ethoxy-2-methyl-6-oxohexanoic acid
CID 58434631
sodium;diethyl decanedioate;hydride
CID 173076435
cyclohexane;ethyl 4-hydroxybutanoate
CID 67158425

Frequently Asked Questions

What is the IUPAC name of ethyl 5,5,5-triethoxypentanoate?
The IUPAC name of ethyl 5,5,5-triethoxypentanoate (CID 14860744) is ethyl 5,5,5-triethoxypentanoate.
What is the SMILES notation for ethyl 5,5,5-triethoxypentanoate?
The canonical SMILES for ethyl 5,5,5-triethoxypentanoate is CCOC(=O)CCCC(OCC)(OCC)OCC.
What is the InChIKey of ethyl 5,5,5-triethoxypentanoate?
The InChIKey is SNQHSPPWGLMZNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O5/c1-5-15-12(14)10-9-11-13(16-6-2,17-7-3)18-8-4/h5-11H2,1-4H3.
What are the key properties of ethyl 5,5,5-triethoxypentanoate?
ethyl 5,5,5-triethoxypentanoate has a molecular weight of 262.35 g/mol, XLogP of 2.48, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5,5,5-triethoxypentanoate is sourced from PubChem (CID 14860744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).