tetraethyl propane-1,1,1,3-tetracarboxylate

C15H24O8 — CID 90920632

IUPACtetraethyl propane-1,1,1,3-tetracarboxylate
SMILESCCOC(=O)CCC(C(=O)OCC)(C(=O)OCC)C(=O)OCC
InChIInChI=1S/C15H24O8/c1-5-20-11(16)9-10-15(12(17)21-6-2,13(18)22-7-3)14(19)23-8-4/h5-10H2,1-4H3
InChIKeyBUEJULHWRXWCSW-UHFFFAOYSA-N
MW332.35 g/mol
LogP1.01
Rot. Bonds10

About tetraethyl propane-1,1,1,3-tetracarboxylate

tetraethyl propane-1,1,1,3-tetracarboxylate (PubChem CID 90920632) has the molecular formula C15H24O8 and a molecular weight of 332.35 g/mol. Its IUPAC name is tetraethyl propane-1,1,1,3-tetracarboxylate.

Molecular Properties

Compound Nametetraethyl propane-1,1,1,3-tetracarboxylate
PubChem CID90920632
Molecular FormulaC15H24O8
Molecular Weight332.35 g/mol
Exact Mass332.15
IUPAC Nametetraethyl propane-1,1,1,3-tetracarboxylate
SMILESCCOC(=O)CCC(C(=O)OCC)(C(=O)OCC)C(=O)OCC
InChIInChI=1S/C15H24O8/c1-5-20-11(16)9-10-15(12(17)21-6-2,13(18)22-7-3)14(19)23-8-4/h5-10H2,1-4H3
InChIKeyBUEJULHWRXWCSW-UHFFFAOYSA-N
XLogP1.01
TPSA105.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.35
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

diethyl 2,2-dibromopentanedioate
CID 54436079
diethyl (2R)-2-acetyl-2-aminopentanedioate
CID 139979489
ethyl 4,4-dihydroxypentanoate
CID 123268886
triethyl 2-hydroxypropane-1,2,3-tricarboxylate
CID 6506
ethyl 4-ethyl-4-phosphanylhexanoate
CID 174578933
diethyl 2,2-bis(2-oxopropyl)butanedioate
CID 57049404
ethyl 4,4-diethoxypentanoate
CID 523027
ethyl 5-amino-4,4-difluoro-5-oxopentanoate
CID 86647023
diethyl 4,4,5,5,6,6,7,7-octafluorodecanedioate
CID 15093646
diethyl 2-methyl-2-nitropentanedioate
CID 10060515
triethyl 3-diethoxyphosphorylpentane-1,3,5-tricarboxylate
CID 15811792
diethyl 2,2-diethylhexanedioate
CID 138680184

Frequently Asked Questions

What is the IUPAC name of tetraethyl propane-1,1,1,3-tetracarboxylate?
The IUPAC name of tetraethyl propane-1,1,1,3-tetracarboxylate (CID 90920632) is tetraethyl propane-1,1,1,3-tetracarboxylate.
What is the SMILES notation for tetraethyl propane-1,1,1,3-tetracarboxylate?
The canonical SMILES for tetraethyl propane-1,1,1,3-tetracarboxylate is CCOC(=O)CCC(C(=O)OCC)(C(=O)OCC)C(=O)OCC.
What is the InChIKey of tetraethyl propane-1,1,1,3-tetracarboxylate?
The InChIKey is BUEJULHWRXWCSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O8/c1-5-20-11(16)9-10-15(12(17)21-6-2,13(18)22-7-3)14(19)23-8-4/h5-10H2,1-4H3.
What are the key properties of tetraethyl propane-1,1,1,3-tetracarboxylate?
tetraethyl propane-1,1,1,3-tetracarboxylate has a molecular weight of 332.35 g/mol, XLogP of 1.01, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tetraethyl propane-1,1,1,3-tetracarboxylate is sourced from PubChem (CID 90920632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).