Trinonyl propane-1,2,3-tricarboxylate

Formula:C33H62O6 CAS:10003-67-5 ChemrytIQ

PropertyValue
Casrn10003-67-5
MolNameTrinonyl propane-1,2,3-tricarboxylate
MolecularFormulaC33H62O6
SmilesCCCCCCCCCOC(CC(CC(OCCCCCCCCC)=O)C(OCCCCCCCCC)=O)=O
InChIInChI=1S/C33H62O6/c1-4-7-10-13-16-19-22-25-37-31(34)28-30(33(36)39-27-24-21-18-15-12-9-6-3)29-32(35)38-26-23-20-17-14-11-8-5-2/h30H,4-29H2,1-3H3
InChIKFSWPMCGVDLITKB-UHFFFAOYSA-N
CanonicalSyTyLFy88faf6bba15becd0
TotalMolweight554.849
Molweight554.849
MonoisotopicMass554.45464
CLogP10.775
CLogS-7.333
H Acceptors6
TotalSurfaceArea503.79
Relative PSA0.1372
PolarSurfaceArea78.9
Druglikeness-22.973
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.64103
Molecula Flexibility0.67152
Molecular Complexity0.61487
Fragments1
Non HAtoms39
NonCHAtoms6
Electronegative Atoms6
Rotatable Bond32
Sp3Atoms33
Symmetricatoms13
StereoCon
CAS Number Mutagenic Tumorigenic Irritant Molecule Formula Mol Weight Druglikeness ChemrytIQ
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