2-ethylpropane-1,3-diol;tris(2-methylprop-2-enoic acid)

C17H30O8 — CID 23373856

IUPAC2-ethylpropane-1,3-diol;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(CO)CO
InChIInChI=1S/C5H12O2.3C4H6O2/c1-2-5(3-6)4-7;3*1-3(2)4(5)6/h5-7H,2-4H2,1H3;3*1H2,2H3,(H,5,6)
InChIKeyGMHRNSBMRJDGEV-UHFFFAOYSA-N
MW362.42 g/mol
LogP1.94
Rot. Bonds6

About 2-ethylpropane-1,3-diol;tris(2-methylprop-2-enoic acid)

2-ethylpropane-1,3-diol;tris(2-methylprop-2-enoic acid) (PubChem CID 23373856) has the molecular formula C17H30O8 and a molecular weight of 362.42 g/mol. Its IUPAC name is 2-ethylpropane-1,3-diol;tris(2-methylprop-2-enoic acid).

Molecular Properties

Compound Name2-ethylpropane-1,3-diol;tris(2-methylprop-2-enoic acid)
PubChem CID23373856
Molecular FormulaC17H30O8
Molecular Weight362.42 g/mol
Exact Mass362.19
IUPAC Name2-ethylpropane-1,3-diol;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(CO)CO
InChIInChI=1S/C5H12O2.3C4H6O2/c1-2-5(3-6)4-7;3*1-3(2)4(5)6/h5-7H,2-4H2,1H3;3*1H2,2H3,(H,5,6)
InChIKeyGMHRNSBMRJDGEV-UHFFFAOYSA-N
XLogP1.94
TPSA152.36 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.42
LogP ≤ 51.94
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

acetic acid;2-ethylpropane-1,3-diol
CID 22936080
acetic acid;2-(hydroxymethyl)butane-1,4-diol;2-methylprop-2-enoic acid
CID 173453943
2-ethylpropane-1,3-diol;bis(prop-2-enoic acid)
CID 87649456
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-aminobutanoic acid;2-methylprop-2-enoic acid
CID 161129910
ethanol;methanol;2-methylprop-2-enoic acid;titanium
CID 174721587
CID 173413432
CID 173413432
ethane-1,2-diol;tetrakis(2-methylprop-2-enoic acid);propane-1,2-diol
CID 173026059
butan-2-one;2-methylprop-2-enoic acid
CID 18674562
bis(ethane-1,2-diol);ethene;2-methylprop-2-enoic acid
CID 173395438
aminomethanol;2-methylprop-2-enoic acid
CID 122684678

Frequently Asked Questions

What is the IUPAC name of 2-ethylpropane-1,3-diol;tris(2-methylprop-2-enoic acid)?
The IUPAC name of 2-ethylpropane-1,3-diol;tris(2-methylprop-2-enoic acid) (CID 23373856) is 2-ethylpropane-1,3-diol;tris(2-methylprop-2-enoic acid).
What is the SMILES notation for 2-ethylpropane-1,3-diol;tris(2-methylprop-2-enoic acid)?
The canonical SMILES for 2-ethylpropane-1,3-diol;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(CO)CO.
What is the InChIKey of 2-ethylpropane-1,3-diol;tris(2-methylprop-2-enoic acid)?
The InChIKey is GMHRNSBMRJDGEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12O2.3C4H6O2/c1-2-5(3-6)4-7;3*1-3(2)4(5)6/h5-7H,2-4H2,1H3;3*1H2,2H3,(H,5,6).
What are the key properties of 2-ethylpropane-1,3-diol;tris(2-methylprop-2-enoic acid)?
2-ethylpropane-1,3-diol;tris(2-methylprop-2-enoic acid) has a molecular weight of 362.42 g/mol, XLogP of 1.94, 6 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylpropane-1,3-diol;tris(2-methylprop-2-enoic acid) is sourced from PubChem (CID 23373856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).