trimethyl 2-propanoyloxypropane-1,2,3-tricarboxylate

C12H18O8 — CID 14718307

IUPACtrimethyl 2-propanoyloxypropane-1,2,3-tricarboxylate
SMILESCCC(=O)OC(CC(=O)OC)(CC(=O)OC)C(=O)OC
InChIInChI=1S/C12H18O8/c1-5-8(13)20-12(11(16)19-4,6-9(14)17-2)7-10(15)18-3/h5-7H2,1-4H3
InChIKeyISVRHDPWVVGZFI-UHFFFAOYSA-N
MW290.27 g/mol
LogP-0.02
Rot. Bonds7

About trimethyl 2-propanoyloxypropane-1,2,3-tricarboxylate

trimethyl 2-propanoyloxypropane-1,2,3-tricarboxylate (PubChem CID 14718307) has the molecular formula C12H18O8 and a molecular weight of 290.27 g/mol. Its IUPAC name is trimethyl 2-propanoyloxypropane-1,2,3-tricarboxylate.

Molecular Properties

Compound Nametrimethyl 2-propanoyloxypropane-1,2,3-tricarboxylate
PubChem CID14718307
Molecular FormulaC12H18O8
Molecular Weight290.27 g/mol
Exact Mass290.10
IUPAC Nametrimethyl 2-propanoyloxypropane-1,2,3-tricarboxylate
SMILESCCC(=O)OC(CC(=O)OC)(CC(=O)OC)C(=O)OC
InChIInChI=1S/C12H18O8/c1-5-8(13)20-12(11(16)19-4,6-9(14)17-2)7-10(15)18-3/h5-7H2,1-4H3
InChIKeyISVRHDPWVVGZFI-UHFFFAOYSA-N
XLogP-0.02
TPSA105.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.27
LogP ≤ 5-0.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of trimethyl 2-propanoyloxypropane-1,2,3-tricarboxylate?
The IUPAC name of trimethyl 2-propanoyloxypropane-1,2,3-tricarboxylate (CID 14718307) is trimethyl 2-propanoyloxypropane-1,2,3-tricarboxylate.
What is the SMILES notation for trimethyl 2-propanoyloxypropane-1,2,3-tricarboxylate?
The canonical SMILES for trimethyl 2-propanoyloxypropane-1,2,3-tricarboxylate is CCC(=O)OC(CC(=O)OC)(CC(=O)OC)C(=O)OC.
What is the InChIKey of trimethyl 2-propanoyloxypropane-1,2,3-tricarboxylate?
The InChIKey is ISVRHDPWVVGZFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O8/c1-5-8(13)20-12(11(16)19-4,6-9(14)17-2)7-10(15)18-3/h5-7H2,1-4H3.
What are the key properties of trimethyl 2-propanoyloxypropane-1,2,3-tricarboxylate?
trimethyl 2-propanoyloxypropane-1,2,3-tricarboxylate has a molecular weight of 290.27 g/mol, XLogP of -0.02, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl 2-propanoyloxypropane-1,2,3-tricarboxylate is sourced from PubChem (CID 14718307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).