tripropyl cyclopropane-1,2,3-tricarboxylate

C15H24O6 — CID 177455130

IUPACtripropyl cyclopropane-1,2,3-tricarboxylate
SMILESCCCOC(=O)C1C(C(=O)OCCC)C1C(=O)OCCC
InChIInChI=1S/C15H24O6/c1-4-7-19-13(16)10-11(14(17)20-8-5-2)12(10)15(18)21-9-6-3/h10-12H,4-9H2,1-3H3
InChIKeySKNNDBUFDFYYBQ-UHFFFAOYSA-N
MW300.35 g/mol
LogP1.71
Rot. Bonds9

About tripropyl cyclopropane-1,2,3-tricarboxylate

tripropyl cyclopropane-1,2,3-tricarboxylate (PubChem CID 177455130) has the molecular formula C15H24O6 and a molecular weight of 300.35 g/mol. Its IUPAC name is tripropyl cyclopropane-1,2,3-tricarboxylate.

Molecular Properties

Compound Nametripropyl cyclopropane-1,2,3-tricarboxylate
PubChem CID177455130
Molecular FormulaC15H24O6
Molecular Weight300.35 g/mol
Exact Mass300.16
IUPAC Nametripropyl cyclopropane-1,2,3-tricarboxylate
SMILESCCCOC(=O)C1C(C(=O)OCCC)C1C(=O)OCCC
InChIInChI=1S/C15H24O6/c1-4-7-19-13(16)10-11(14(17)20-8-5-2)12(10)15(18)21-9-6-3/h10-12H,4-9H2,1-3H3
InChIKeySKNNDBUFDFYYBQ-UHFFFAOYSA-N
XLogP1.71
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

dipropyl oxirane-2,3-dicarboxylate
CID 58624990
trans-propyl (1R,2R)-2-methylcyclopropane-1-carboxylate
CID 93032108
(1S,2R,3S,4S)-3-propoxycarbonyl-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
CID 98061043
propyl 4-oxocyclohexane-1-carboxylate
CID 129121656
16-propoxycarbonyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxylic acid
CID 2828002
dipropyl 3-methylcyclohex-4-ene-1,2-dicarboxylate
CID 66938232
2,2-dimethyl-3-propoxycarbonylcyclopropane-1-carboxylic acid
CID 90905130
propyl 4-hydroxycyclohexane-1-carboxylate
CID 71338866
2,5-diphenyl-6-propoxycarbonylcyclohex-3-ene-1-carboxylic acid
CID 21231858
2,5-bis(ethenyl)-4-propoxycarbonyloxolane-3-carboxylate
CID 158542543
propyl thiane-4-carboxylate
CID 135122723
propyl acetate;hydrate
CID 122690555

Frequently Asked Questions

What is the IUPAC name of tripropyl cyclopropane-1,2,3-tricarboxylate?
The IUPAC name of tripropyl cyclopropane-1,2,3-tricarboxylate (CID 177455130) is tripropyl cyclopropane-1,2,3-tricarboxylate.
What is the SMILES notation for tripropyl cyclopropane-1,2,3-tricarboxylate?
The canonical SMILES for tripropyl cyclopropane-1,2,3-tricarboxylate is CCCOC(=O)C1C(C(=O)OCCC)C1C(=O)OCCC.
What is the InChIKey of tripropyl cyclopropane-1,2,3-tricarboxylate?
The InChIKey is SKNNDBUFDFYYBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O6/c1-4-7-19-13(16)10-11(14(17)20-8-5-2)12(10)15(18)21-9-6-3/h10-12H,4-9H2,1-3H3.
What are the key properties of tripropyl cyclopropane-1,2,3-tricarboxylate?
tripropyl cyclopropane-1,2,3-tricarboxylate has a molecular weight of 300.35 g/mol, XLogP of 1.71, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tripropyl cyclopropane-1,2,3-tricarboxylate is sourced from PubChem (CID 177455130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).