2,2-diethoxyethyl tetradecanoate

C20H40O4 — CID 156620968

IUPAC2,2-diethoxyethyl tetradecanoate
SMILESCCCCCCCCCCCCCC(=O)OCC(OCC)OCC
InChIInChI=1S/C20H40O4/c1-4-7-8-9-10-11-12-13-14-15-16-17-19(21)24-18-20(22-5-2)23-6-3/h20H,4-18H2,1-3H3
InChIKeyOYYBHSGQYBFRIH-UHFFFAOYSA-N
MW344.54 g/mol
LogP5.63
Rot. Bonds18

About 2,2-diethoxyethyl tetradecanoate

2,2-diethoxyethyl tetradecanoate (PubChem CID 156620968) has the molecular formula C20H40O4 and a molecular weight of 344.54 g/mol. Its IUPAC name is 2,2-diethoxyethyl tetradecanoate.

Molecular Properties

Compound Name2,2-diethoxyethyl tetradecanoate
PubChem CID156620968
Molecular FormulaC20H40O4
Molecular Weight344.54 g/mol
Exact Mass344.29
IUPAC Name2,2-diethoxyethyl tetradecanoate
SMILESCCCCCCCCCCCCCC(=O)OCC(OCC)OCC
InChIInChI=1S/C20H40O4/c1-4-7-8-9-10-11-12-13-14-15-16-17-19(21)24-18-20(22-5-2)23-6-3/h20H,4-18H2,1-3H3
InChIKeyOYYBHSGQYBFRIH-UHFFFAOYSA-N
XLogP5.63
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds18
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.54
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

bis(2,2-diethoxyethyl) pentanedioate
CID 88692204
[3-heptanoyloxy-2-(heptanoyloxymethyl)propyl] heptanoate
CID 102240307
[(2R)-2-hydroxy-3-pentadecanoyloxypropyl] icosanoate
CID 131800454
[(2R)-2-hydroxy-3-octanoyloxypropyl] pentadecanoate
CID 131799748
2,2-diaminoethyl octadecanoate
CID 57048039
[(2S)-2-hydroxy-3-pentadecanoyloxypropyl] icosanoate
CID 131802658
[(2S)-3-decanoyloxy-2-hydroxypropyl] nonadecanoate
CID 131799324
(3-heptadecanoyloxy-2-hydroxypropyl) octadecanoate
CID 178202109
(3-heptadecanoyloxy-2-hydroxypropyl) heptadecanoate
CID 19753453
[(2R)-3-hexadecanoyloxy-2-hydroxypropyl] heptadecanoate
CID 131800092
[(2R)-2-hydroxy-3-pentadecanoyloxypropyl] tetracosanoate
CID 131801713
(3-decanoyloxy-2-methylpropyl) dodecanoate
CID 178043499

Frequently Asked Questions

What is the IUPAC name of 2,2-diethoxyethyl tetradecanoate?
The IUPAC name of 2,2-diethoxyethyl tetradecanoate (CID 156620968) is 2,2-diethoxyethyl tetradecanoate.
What is the SMILES notation for 2,2-diethoxyethyl tetradecanoate?
The canonical SMILES for 2,2-diethoxyethyl tetradecanoate is CCCCCCCCCCCCCC(=O)OCC(OCC)OCC.
What is the InChIKey of 2,2-diethoxyethyl tetradecanoate?
The InChIKey is OYYBHSGQYBFRIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40O4/c1-4-7-8-9-10-11-12-13-14-15-16-17-19(21)24-18-20(22-5-2)23-6-3/h20H,4-18H2,1-3H3.
What are the key properties of 2,2-diethoxyethyl tetradecanoate?
2,2-diethoxyethyl tetradecanoate has a molecular weight of 344.54 g/mol, XLogP of 5.63, 18 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethoxyethyl tetradecanoate is sourced from PubChem (CID 156620968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).