2,2-dimethylbutane;tris(prop-2-enoic acid)

C15H26O6 — CID 86744534

IUPAC2,2-dimethylbutane;tris(prop-2-enoic acid)
SMILESC=CC(=O)O.C=CC(=O)O.C=CC(=O)O.CCC(C)(C)C
InChIInChI=1S/C6H14.3C3H4O2/c1-5-6(2,3)4;3*1-2-3(4)5/h5H2,1-4H3;3*2H,1H2,(H,4,5)
InChIKeyOYKPJMYWPYIXGG-UHFFFAOYSA-N
MW302.37 g/mol
LogP3.21
Rot. Bonds3

About 2,2-dimethylbutane;tris(prop-2-enoic acid)

2,2-dimethylbutane;tris(prop-2-enoic acid) (PubChem CID 86744534) has the molecular formula C15H26O6 and a molecular weight of 302.37 g/mol. Its IUPAC name is 2,2-dimethylbutane;tris(prop-2-enoic acid).

Molecular Properties

Compound Name2,2-dimethylbutane;tris(prop-2-enoic acid)
PubChem CID86744534
Molecular FormulaC15H26O6
Molecular Weight302.37 g/mol
Exact Mass302.17
IUPAC Name2,2-dimethylbutane;tris(prop-2-enoic acid)
SMILESC=CC(=O)O.C=CC(=O)O.C=CC(=O)O.CCC(C)(C)C
InChIInChI=1S/C6H14.3C3H4O2/c1-5-6(2,3)4;3*1-2-3(4)5/h5H2,1-4H3;3*2H,1H2,(H,4,5)
InChIKeyOYKPJMYWPYIXGG-UHFFFAOYSA-N
XLogP3.21
TPSA111.90 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 53.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

bis(propane-1,1,1-triol);tris(prop-2-enoic acid)
CID 160840760
2,2-dimethylpropan-1-ol;bis(prop-2-enoic acid)
CID 175907973
2,2-dimethylbutane;2-ethyl-2-(hydroxymethyl)propane-1,3-diol;tris(2-methylprop-2-enoic acid);tris(prop-2-enoic acid)
CID 159095327
ethane-1,1,1-triol;tris(prop-2-enoic acid)
CID 159443056
ethanol;prop-2-enoic acid
CID 159350313
acetic acid;2-ethyl-2-(hydroxymethyl)propane-1,3-diol;bis(prop-2-enoic acid)
CID 159422742
2-ethyl-2-(hydroxymethyl)propane-1,3-diol;oxaldehydic acid;prop-2-enoic acid
CID 175462239
2,2-dimethylpropanoic acid;prop-2-enoic acid
CID 88656753
tert-butyl-λ2-stannane;tris(prop-2-enoic acid)
CID 173132453
chloromethane;chromium;prop-2-enoic acid
CID 174311629
2-ethyl-2-(hydroxymethyl)propane-1,3-diol;propanedioic acid;prop-2-enoic acid
CID 88722813
2,2-bis(hydroxymethyl)propane-1,3-diol;propan-1-ol;tris(prop-2-enoic acid)
CID 172739717

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylbutane;tris(prop-2-enoic acid)?
The IUPAC name of 2,2-dimethylbutane;tris(prop-2-enoic acid) (CID 86744534) is 2,2-dimethylbutane;tris(prop-2-enoic acid).
What is the SMILES notation for 2,2-dimethylbutane;tris(prop-2-enoic acid)?
The canonical SMILES for 2,2-dimethylbutane;tris(prop-2-enoic acid) is C=CC(=O)O.C=CC(=O)O.C=CC(=O)O.CCC(C)(C)C.
What is the InChIKey of 2,2-dimethylbutane;tris(prop-2-enoic acid)?
The InChIKey is OYKPJMYWPYIXGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14.3C3H4O2/c1-5-6(2,3)4;3*1-2-3(4)5/h5H2,1-4H3;3*2H,1H2,(H,4,5).
What are the key properties of 2,2-dimethylbutane;tris(prop-2-enoic acid)?
2,2-dimethylbutane;tris(prop-2-enoic acid) has a molecular weight of 302.37 g/mol, XLogP of 3.21, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylbutane;tris(prop-2-enoic acid) is sourced from PubChem (CID 86744534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).