2,2-dimethylpropan-1-ol;bis(prop-2-enoic acid)

C11H20O5 — CID 175907973

IUPAC2,2-dimethylpropan-1-ol;bis(prop-2-enoic acid)
SMILESC=CC(=O)O.C=CC(=O)O.CC(C)(C)CO
InChIInChI=1S/C5H12O.2C3H4O2/c1-5(2,3)4-6;2*1-2-3(4)5/h6H,4H2,1-3H3;2*2H,1H2,(H,4,5)
InChIKeyZVXHWFBJZKMGNH-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.54
Rot. Bonds2

About 2,2-dimethylpropan-1-ol;bis(prop-2-enoic acid)

2,2-dimethylpropan-1-ol;bis(prop-2-enoic acid) (PubChem CID 175907973) has the molecular formula C11H20O5 and a molecular weight of 232.28 g/mol. Its IUPAC name is 2,2-dimethylpropan-1-ol;bis(prop-2-enoic acid).

Molecular Properties

Compound Name2,2-dimethylpropan-1-ol;bis(prop-2-enoic acid)
PubChem CID175907973
Molecular FormulaC11H20O5
Molecular Weight232.28 g/mol
Exact Mass232.13
IUPAC Name2,2-dimethylpropan-1-ol;bis(prop-2-enoic acid)
SMILESC=CC(=O)O.C=CC(=O)O.CC(C)(C)CO
InChIInChI=1S/C5H12O.2C3H4O2/c1-5(2,3)4-6;2*1-2-3(4)5/h6H,4H2,1-3H3;2*2H,1H2,(H,4,5)
InChIKeyZVXHWFBJZKMGNH-UHFFFAOYSA-N
XLogP1.54
TPSA94.83 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2,2-dimethylpropan-1-ol;bis(prop-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

2,2-dimethylbutane;tris(prop-2-enoic acid)
CID 86744534
2,2-bis(hydroxymethyl)propane-1,3-diol;octakis(prop-2-enoic acid)
CID 162108316
bis(2,2-bis(hydroxymethyl)propane-1,3-diol);undecakis(prop-2-enoic acid)
CID 173334084
ethanol;prop-2-enoic acid
CID 159350313
ethane-1,1,1-triol;tris(prop-2-enoic acid)
CID 159443056
2,2-dimethylpropane-1,3-diol;propanoic acid;bis(prop-2-enoic acid)
CID 162215044
2,2-dimethylpropanoic acid;prop-2-enoic acid
CID 88656753
tert-butyl-λ2-stannane;tris(prop-2-enoic acid)
CID 173132453
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-1,2-diol;tetrakis(prop-2-enoic acid)
CID 157215005
dodecakis(ethane-1,2-diol);tridecakis(prop-2-enoic acid)
CID 173073218
chloromethane;chromium;prop-2-enoic acid
CID 174311629

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylpropan-1-ol;bis(prop-2-enoic acid)?
The IUPAC name of 2,2-dimethylpropan-1-ol;bis(prop-2-enoic acid) (CID 175907973) is 2,2-dimethylpropan-1-ol;bis(prop-2-enoic acid).
What is the SMILES notation for 2,2-dimethylpropan-1-ol;bis(prop-2-enoic acid)?
The canonical SMILES for 2,2-dimethylpropan-1-ol;bis(prop-2-enoic acid) is C=CC(=O)O.C=CC(=O)O.CC(C)(C)CO.
What is the InChIKey of 2,2-dimethylpropan-1-ol;bis(prop-2-enoic acid)?
The InChIKey is ZVXHWFBJZKMGNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12O.2C3H4O2/c1-5(2,3)4-6;2*1-2-3(4)5/h6H,4H2,1-3H3;2*2H,1H2,(H,4,5).
What are the key properties of 2,2-dimethylpropan-1-ol;bis(prop-2-enoic acid)?
2,2-dimethylpropan-1-ol;bis(prop-2-enoic acid) has a molecular weight of 232.28 g/mol, XLogP of 1.54, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylpropan-1-ol;bis(prop-2-enoic acid) is sourced from PubChem (CID 175907973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).