tripropyl but-3-ene-1,2,3-tricarboxylate

C16H26O6 — CID 101281462

IUPACtripropyl but-3-ene-1,2,3-tricarboxylate
SMILESC=C(C(=O)OCCC)C(CC(=O)OCCC)C(=O)OCCC
InChIInChI=1S/C16H26O6/c1-5-8-20-14(17)11-13(16(19)22-10-7-3)12(4)15(18)21-9-6-2/h13H,4-11H2,1-3H3
InChIKeySHEXTKVRPKMHQF-UHFFFAOYSA-N
MW314.38 g/mol
LogP2.41
Rot. Bonds11

About tripropyl but-3-ene-1,2,3-tricarboxylate

tripropyl but-3-ene-1,2,3-tricarboxylate (PubChem CID 101281462) has the molecular formula C16H26O6 and a molecular weight of 314.38 g/mol. Its IUPAC name is tripropyl but-3-ene-1,2,3-tricarboxylate.

Molecular Properties

Compound Nametripropyl but-3-ene-1,2,3-tricarboxylate
PubChem CID101281462
Molecular FormulaC16H26O6
Molecular Weight314.38 g/mol
Exact Mass314.17
IUPAC Nametripropyl but-3-ene-1,2,3-tricarboxylate
SMILESC=C(C(=O)OCCC)C(CC(=O)OCCC)C(=O)OCCC
InChIInChI=1S/C16H26O6/c1-5-8-20-14(17)11-13(16(19)22-10-7-3)12(4)15(18)21-9-6-2/h13H,4-11H2,1-3H3
InChIKeySHEXTKVRPKMHQF-UHFFFAOYSA-N
XLogP2.41
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-O-[2-[3,4-bis(propoxycarbonyl)pent-4-enoyloxy]ethyl] 2-O,3-O-dipropyl but-3-ene-1,2,3-tricarboxylate
CID 101281217
1-O-[4-[3,4-bis(propoxycarbonyl)pent-4-enoyloxy]butyl] 2-O,3-O-dipropyl but-3-ene-1,2,3-tricarboxylate
CID 101281277
2-O-[2-[2-(2-oxo-2-propoxyethyl)-3-propoxycarbonylbut-3-enoyl]oxypropyl] 1-O,3-O-dipropyl but-3-ene-1,2,3-tricarboxylate
CID 101281233
1-O-[2-[3,4-bis(propoxycarbonyl)pent-4-enoyloxy]butyl] 2-O,3-O-dipropyl but-3-ene-1,2,3-tricarboxylate
CID 101281253
3-O-[2-(2-methylidene-5-oxo-5-propoxy-3-propoxycarbonylpentanoyl)oxybutyl] 1-O,2-O-dipropyl but-3-ene-1,2,3-tricarboxylate
CID 101281261
3,4-bis(pentoxycarbonyl)pent-4-enoic acid
CID 101281456
3,4-bis(hexoxycarbonyl)pent-4-enoic acid
CID 101281457
5-heptoxy-3-heptoxycarbonyl-2-methylidene-5-oxopentanoic acid
CID 101281438
3-O-[2-[2-(5-methoxy-3-methoxycarbonyl-2-methylidene-5-oxopentanoyl)oxyethoxy]ethyl] 1-O,2-O-dimethyl but-3-ene-1,2,3-tricarboxylate
CID 101281396
1-O-propan-2-yl 4-O-propyl 2-methylbutanedioate
CID 173239867
propyl 4-hydroxy-2-methylidenepentanoate
CID 88746999
propyl 2-silylprop-2-enoate
CID 173152802

Frequently Asked Questions

What is the IUPAC name of tripropyl but-3-ene-1,2,3-tricarboxylate?
The IUPAC name of tripropyl but-3-ene-1,2,3-tricarboxylate (CID 101281462) is tripropyl but-3-ene-1,2,3-tricarboxylate.
What is the SMILES notation for tripropyl but-3-ene-1,2,3-tricarboxylate?
The canonical SMILES for tripropyl but-3-ene-1,2,3-tricarboxylate is C=C(C(=O)OCCC)C(CC(=O)OCCC)C(=O)OCCC.
What is the InChIKey of tripropyl but-3-ene-1,2,3-tricarboxylate?
The InChIKey is SHEXTKVRPKMHQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O6/c1-5-8-20-14(17)11-13(16(19)22-10-7-3)12(4)15(18)21-9-6-2/h13H,4-11H2,1-3H3.
What are the key properties of tripropyl but-3-ene-1,2,3-tricarboxylate?
tripropyl but-3-ene-1,2,3-tricarboxylate has a molecular weight of 314.38 g/mol, XLogP of 2.41, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tripropyl but-3-ene-1,2,3-tricarboxylate is sourced from PubChem (CID 101281462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).