triethyl 2-ethoxypropane-1,2,3-tricarboxylate

C14H24O7 — CID 57322317

IUPACtriethyl 2-ethoxypropane-1,2,3-tricarboxylate
SMILESCCOC(=O)CC(CC(=O)OCC)(OCC)C(=O)OCC
InChIInChI=1S/C14H24O7/c1-5-18-11(15)9-14(21-8-4,13(17)20-7-3)10-12(16)19-6-2/h5-10H2,1-4H3
InChIKeyNVCVSFHPOWEBNH-UHFFFAOYSA-N
MW304.34 g/mol
LogP1.23
Rot. Bonds10

About triethyl 2-ethoxypropane-1,2,3-tricarboxylate

triethyl 2-ethoxypropane-1,2,3-tricarboxylate (PubChem CID 57322317) has the molecular formula C14H24O7 and a molecular weight of 304.34 g/mol. Its IUPAC name is triethyl 2-ethoxypropane-1,2,3-tricarboxylate.

Molecular Properties

Compound Nametriethyl 2-ethoxypropane-1,2,3-tricarboxylate
PubChem CID57322317
Molecular FormulaC14H24O7
Molecular Weight304.34 g/mol
Exact Mass304.15
IUPAC Nametriethyl 2-ethoxypropane-1,2,3-tricarboxylate
SMILESCCOC(=O)CC(CC(=O)OCC)(OCC)C(=O)OCC
InChIInChI=1S/C14H24O7/c1-5-18-11(15)9-14(21-8-4,13(17)20-7-3)10-12(16)19-6-2/h5-10H2,1-4H3
InChIKeyNVCVSFHPOWEBNH-UHFFFAOYSA-N
XLogP1.23
TPSA88.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.34
LogP ≤ 51.23
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

triethyl 2-hydroxypropane-1,2,3-tricarboxylate
CID 6506
triethyl 2-dodecanoyloxypropane-1,2,3-tricarboxylate
CID 175187054
diethyl (2R)-2-hydroxy-2-methylbutanedioate
CID 12732542
1-O,3-O-diethyl 2-O-methyl 2-acetyloxypropane-1,2,3-tricarboxylate
CID 169315774
1-O,2-O-diethyl 3-O-(2-oxoethyl) 2-ethylperoxypropane-1,2,3-tricarboxylate
CID 57249188
ethyl 3,3-dimethylbutanoate;methane
CID 167622566
diethyl 2,3-diethoxy-2,3-diethylbutanedioate
CID 139989312
propan-2-one;triethyl 2-hydroxypropane-1,2,3-tricarboxylate
CID 21254515
tetraethyl propane-1,1,1,3-tetracarboxylate
CID 90920632
tributyl 2-pentoxypropane-1,2,3-tricarboxylate
CID 87499895
ethyl 3,4,4,4-tetrafluoro-3-(trifluoromethyl)butanoate
CID 170871932
diethyl 2,2-bis(2-oxopropyl)butanedioate
CID 57049404

Frequently Asked Questions

What is the IUPAC name of triethyl 2-ethoxypropane-1,2,3-tricarboxylate?
The IUPAC name of triethyl 2-ethoxypropane-1,2,3-tricarboxylate (CID 57322317) is triethyl 2-ethoxypropane-1,2,3-tricarboxylate.
What is the SMILES notation for triethyl 2-ethoxypropane-1,2,3-tricarboxylate?
The canonical SMILES for triethyl 2-ethoxypropane-1,2,3-tricarboxylate is CCOC(=O)CC(CC(=O)OCC)(OCC)C(=O)OCC.
What is the InChIKey of triethyl 2-ethoxypropane-1,2,3-tricarboxylate?
The InChIKey is NVCVSFHPOWEBNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O7/c1-5-18-11(15)9-14(21-8-4,13(17)20-7-3)10-12(16)19-6-2/h5-10H2,1-4H3.
What are the key properties of triethyl 2-ethoxypropane-1,2,3-tricarboxylate?
triethyl 2-ethoxypropane-1,2,3-tricarboxylate has a molecular weight of 304.34 g/mol, XLogP of 1.23, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl 2-ethoxypropane-1,2,3-tricarboxylate is sourced from PubChem (CID 57322317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).