ethyl 5,5-diethoxypentanoate

C11H22O4 — CID 15274209

IUPACethyl 5,5-diethoxypentanoate
SMILESCCOC(=O)CCCC(OCC)OCC
InChIInChI=1S/C11H22O4/c1-4-13-10(12)8-7-9-11(14-5-2)15-6-3/h11H,4-9H2,1-3H3
InChIKeyZYAXWUNXKVHKDP-UHFFFAOYSA-N
MW218.29 g/mol
LogP2.12
Rot. Bonds9

About ethyl 5,5-diethoxypentanoate

ethyl 5,5-diethoxypentanoate (PubChem CID 15274209) has the molecular formula C11H22O4 and a molecular weight of 218.29 g/mol. Its IUPAC name is ethyl 5,5-diethoxypentanoate.

Molecular Properties

Compound Nameethyl 5,5-diethoxypentanoate
PubChem CID15274209
Molecular FormulaC11H22O4
Molecular Weight218.29 g/mol
Exact Mass218.15
IUPAC Nameethyl 5,5-diethoxypentanoate
SMILESCCOC(=O)CCCC(OCC)OCC
InChIInChI=1S/C11H22O4/c1-4-13-10(12)8-7-9-11(14-5-2)15-6-3/h11H,4-9H2,1-3H3
InChIKeyZYAXWUNXKVHKDP-UHFFFAOYSA-N
XLogP2.12
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.29
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Diethyl glutarate
CID 13163
Dibutyl glutarate
CID 81101
Methyl 5,5-dimethoxyvalerate
CID 551444
Dipropyl glutarate
CID 74407
Dipentyl glutarate
CID 3016634
1-(2,2-Dimethylpropanoyloxy)ethyl pentanoate
CID 44388458
Ethyl 6-(2-tetrahydropyranyloxy)hexanoate
CID 357800
Ethyl 5-acetyloxypentanoate
CID 10655210
Glutaric acid, ethyl propyl ester
CID 22057004
Glutaric acid, butyl ethyl ester
CID 22057014
Glutaric acid, ethyl pentyl ester
CID 86030756
AC1LD4OY
CID 642292

Frequently Asked Questions

What is the IUPAC name of ethyl 5,5-diethoxypentanoate?
The IUPAC name of ethyl 5,5-diethoxypentanoate (CID 15274209) is ethyl 5,5-diethoxypentanoate.
What is the SMILES notation for ethyl 5,5-diethoxypentanoate?
The canonical SMILES for ethyl 5,5-diethoxypentanoate is CCOC(=O)CCCC(OCC)OCC.
What is the InChIKey of ethyl 5,5-diethoxypentanoate?
The InChIKey is ZYAXWUNXKVHKDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O4/c1-4-13-10(12)8-7-9-11(14-5-2)15-6-3/h11H,4-9H2,1-3H3.
What are the key properties of ethyl 5,5-diethoxypentanoate?
ethyl 5,5-diethoxypentanoate has a molecular weight of 218.29 g/mol, XLogP of 2.12, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5,5-diethoxypentanoate is sourced from PubChem (CID 15274209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).