2-ethylbutane-1,2,3-triol;tris(2-methylprop-2-enoic acid)

C18H32O9 — CID 173331199

IUPAC2-ethylbutane-1,2,3-triol;tris(2-methylprop-2-enoic acid)
SMILESC=C(C)C(=O)O.C=C(C)C(=O)O.C=C(C)C(=O)O.CCC(O)(CO)C(C)O
InChIInChI=1S/C6H14O3.3C4H6O2/c1-3-6(9,4-7)5(2)8;3*1-3(2)4(5)6/h5,7-9H,3-4H2,1-2H3;3*1H2,2H3,(H,5,6)
InChIKeyRYYNHLYAOXVWKR-UHFFFAOYSA-N
MW392.45 g/mol
LogP1.44
Rot. Bonds6

About 2-ethylbutane-1,2,3-triol;tris(2-methylprop-2-enoic acid)

2-ethylbutane-1,2,3-triol;tris(2-methylprop-2-enoic acid) (PubChem CID 173331199) has the molecular formula C18H32O9 and a molecular weight of 392.45 g/mol. Its IUPAC name is 2-ethylbutane-1,2,3-triol;tris(2-methylprop-2-enoic acid).

Molecular Properties

Compound Name2-ethylbutane-1,2,3-triol;tris(2-methylprop-2-enoic acid)
PubChem CID173331199
Molecular FormulaC18H32O9
Molecular Weight392.45 g/mol
Exact Mass392.20
IUPAC Name2-ethylbutane-1,2,3-triol;tris(2-methylprop-2-enoic acid)
SMILESC=C(C)C(=O)O.C=C(C)C(=O)O.C=C(C)C(=O)O.CCC(O)(CO)C(C)O
InChIInChI=1S/C6H14O3.3C4H6O2/c1-3-6(9,4-7)5(2)8;3*1-3(2)4(5)6/h5,7-9H,3-4H2,1-2H3;3*1H2,2H3,(H,5,6)
InChIKeyRYYNHLYAOXVWKR-UHFFFAOYSA-N
XLogP1.44
TPSA172.59 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.45
LogP ≤ 51.44
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-ethylbutane-1,2,3-triol;tris(2-methylprop-2-enoic acid) with MolForge

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

Launch Full Analysis

Related Compounds

2-methylprop-2-enoic acid;hexakis(propane-1,2-diol)
CID 172778352
bis(2-methylprop-2-enoic acid);tetrakis(propane-1,2-diol)
CID 173141679
2-ethyl-1-iodo-2-methylpropane-1,1,3-triol;tris(2-methylprop-2-enoic acid)
CID 173277204
2,2-bis(hydroxymethyl)propane-1,3-diol;2-ethyl-2-(hydroxymethyl)propane-1,3-diol;bis(2-methylprop-2-enoic acid)
CID 173221405
ethane-1,2-diol;2-ethyl-2-(hydroxymethyl)propane-1,3-diol;tris(2-methylprop-2-enoic acid)
CID 158139440
potassium;2-ethyl-2-(hydroxymethyl)propane-1,3-diol;hydride;tris(2-methylprop-2-enoic acid)
CID 173388304
2,3-dimethylhexane-2,4-diol;2-methylprop-2-enoic acid
CID 174424376
ethane-1,2-diol;tetrakis(2-methylprop-2-enoic acid);propane-1,2-diol
CID 173026059
2-(hydroxymethyl)-2-methylpropane-1,3-diol;tetrakis(2-methylprop-2-enoic acid)
CID 158865662
ethanol;methanol;2-methylprop-2-enoic acid;titanium
CID 174721587
CID 173413432
CID 173413432
bis(2-methylprop-2-enoic acid);2,2,3,3-tetrafluorobutane-1,4-diol
CID 53446164

Frequently Asked Questions

What is the IUPAC name of 2-ethylbutane-1,2,3-triol;tris(2-methylprop-2-enoic acid)?
The IUPAC name of 2-ethylbutane-1,2,3-triol;tris(2-methylprop-2-enoic acid) (CID 173331199) is 2-ethylbutane-1,2,3-triol;tris(2-methylprop-2-enoic acid).
What is the SMILES notation for 2-ethylbutane-1,2,3-triol;tris(2-methylprop-2-enoic acid)?
The canonical SMILES for 2-ethylbutane-1,2,3-triol;tris(2-methylprop-2-enoic acid) is C=C(C)C(=O)O.C=C(C)C(=O)O.C=C(C)C(=O)O.CCC(O)(CO)C(C)O.
What is the InChIKey of 2-ethylbutane-1,2,3-triol;tris(2-methylprop-2-enoic acid)?
The InChIKey is RYYNHLYAOXVWKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O3.3C4H6O2/c1-3-6(9,4-7)5(2)8;3*1-3(2)4(5)6/h5,7-9H,3-4H2,1-2H3;3*1H2,2H3,(H,5,6).
What are the key properties of 2-ethylbutane-1,2,3-triol;tris(2-methylprop-2-enoic acid)?
2-ethylbutane-1,2,3-triol;tris(2-methylprop-2-enoic acid) has a molecular weight of 392.45 g/mol, XLogP of 1.44, 6 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylbutane-1,2,3-triol;tris(2-methylprop-2-enoic acid) is sourced from PubChem (CID 173331199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).