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

C19H32O6 — CID 21321969

IUPACtributyl but-3-ene-1,2,3-tricarboxylate
SMILESC=C(C(=O)OCCCC)C(CC(=O)OCCCC)C(=O)OCCCC
InChIInChI=1S/C19H32O6/c1-5-8-11-23-17(20)14-16(19(22)25-13-10-7-3)15(4)18(21)24-12-9-6-2/h16H,4-14H2,1-3H3
InChIKeyUDYPMJCSSFBVPM-UHFFFAOYSA-N
MW356.46 g/mol
LogP3.58
Rot. Bonds14

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

tributyl but-3-ene-1,2,3-tricarboxylate (PubChem CID 21321969) has the molecular formula C19H32O6 and a molecular weight of 356.46 g/mol. Its IUPAC name is tributyl but-3-ene-1,2,3-tricarboxylate.

Molecular Properties

Compound Nametributyl but-3-ene-1,2,3-tricarboxylate
PubChem CID21321969
Molecular FormulaC19H32O6
Molecular Weight356.46 g/mol
Exact Mass356.22
IUPAC Nametributyl but-3-ene-1,2,3-tricarboxylate
SMILESC=C(C(=O)OCCCC)C(CC(=O)OCCCC)C(=O)OCCCC
InChIInChI=1S/C19H32O6/c1-5-8-11-23-17(20)14-16(19(22)25-13-10-7-3)15(4)18(21)24-12-9-6-2/h16H,4-14H2,1-3H3
InChIKeyUDYPMJCSSFBVPM-UHFFFAOYSA-N
XLogP3.58
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.46
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze tributyl but-3-ene-1,2,3-tricarboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tributyl but-3-ene-1,2,3-tricarboxylate?
The IUPAC name of tributyl but-3-ene-1,2,3-tricarboxylate (CID 21321969) is tributyl but-3-ene-1,2,3-tricarboxylate.
What is the SMILES notation for tributyl but-3-ene-1,2,3-tricarboxylate?
The canonical SMILES for tributyl but-3-ene-1,2,3-tricarboxylate is C=C(C(=O)OCCCC)C(CC(=O)OCCCC)C(=O)OCCCC.
What is the InChIKey of tributyl but-3-ene-1,2,3-tricarboxylate?
The InChIKey is UDYPMJCSSFBVPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32O6/c1-5-8-11-23-17(20)14-16(19(22)25-13-10-7-3)15(4)18(21)24-12-9-6-2/h16H,4-14H2,1-3H3.
What are the key properties of tributyl but-3-ene-1,2,3-tricarboxylate?
tributyl but-3-ene-1,2,3-tricarboxylate has a molecular weight of 356.46 g/mol, XLogP of 3.58, 14 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl but-3-ene-1,2,3-tricarboxylate is sourced from PubChem (CID 21321969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).