2-methylprop-2-enoic acid;propane-1,3-diol;bis(prop-2-enoic acid)

C13H22O8 — CID 162080940

IUPAC2-methylprop-2-enoic acid;propane-1,3-diol;bis(prop-2-enoic acid)
SMILESC=C(C)C(=O)O.C=CC(=O)O.C=CC(=O)O.OCCCO
InChIInChI=1S/C4H6O2.2C3H4O2.C3H8O2/c1-3(2)4(5)6;2*1-2-3(4)5;4-2-1-3-5/h1H2,2H3,(H,5,6);2*2H,1H2,(H,4,5);4-5H,1-3H2
InChIKeyZCIGPXIYWOGKLO-UHFFFAOYSA-N
MW306.31 g/mol
LogP0.52
Rot. Bonds5

About 2-methylprop-2-enoic acid;propane-1,3-diol;bis(prop-2-enoic acid)

2-methylprop-2-enoic acid;propane-1,3-diol;bis(prop-2-enoic acid) (PubChem CID 162080940) has the molecular formula C13H22O8 and a molecular weight of 306.31 g/mol. Its IUPAC name is 2-methylprop-2-enoic acid;propane-1,3-diol;bis(prop-2-enoic acid).

Molecular Properties

Compound Name2-methylprop-2-enoic acid;propane-1,3-diol;bis(prop-2-enoic acid)
PubChem CID162080940
Molecular FormulaC13H22O8
Molecular Weight306.31 g/mol
Exact Mass306.13
IUPAC Name2-methylprop-2-enoic acid;propane-1,3-diol;bis(prop-2-enoic acid)
SMILESC=C(C)C(=O)O.C=CC(=O)O.C=CC(=O)O.OCCCO
InChIInChI=1S/C4H6O2.2C3H4O2.C3H8O2/c1-3(2)4(5)6;2*1-2-3(4)5;4-2-1-3-5/h1H2,2H3,(H,5,6);2*2H,1H2,(H,4,5);4-5H,1-3H2
InChIKeyZCIGPXIYWOGKLO-UHFFFAOYSA-N
XLogP0.52
TPSA152.36 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.31
LogP ≤ 50.52
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

dodecane-1,12-diol;2-methylprop-2-enoic acid;bis(prop-2-enoic acid)
CID 158703617
bis(ethane-1,2-diol);2-methylprop-2-enoic acid;prop-2-enoic acid
CID 173402530
ethane;2-methylprop-2-enoic acid;prop-2-enoic acid
CID 173217491
2-methylprop-2-enoic acid;propan-2-one;prop-2-enoic acid
CID 174363133
bis(2-methylprop-2-enoic acid);octane-1,8-diol
CID 87149429
2-methylprop-2-enoic acid;prop-2-enoic acid;silylsilane
CID 173358641
2,2-bis(hydroxymethyl)propane-1,3-diol;2-methylprop-2-enoic acid;tris(prop-2-enoic acid)
CID 159680832
2-methylprop-1-ene;2-methylprop-2-enoic acid;prop-1-ene;prop-2-enoic acid
CID 162195098
ethane-1,2-diol;bis(2-methylprop-2-enoic acid);tetrakis(prop-1-ene)
CID 174760131
butan-1-ol;prop-2-enoic acid
CID 18402454
bis(ethane-1,2-diol);ethene;2-methylprop-2-enoic acid
CID 173395438
ethane-1,2-diol;tetrakis(prop-2-enoic acid)
CID 157215005

Frequently Asked Questions

What is the IUPAC name of 2-methylprop-2-enoic acid;propane-1,3-diol;bis(prop-2-enoic acid)?
The IUPAC name of 2-methylprop-2-enoic acid;propane-1,3-diol;bis(prop-2-enoic acid) (CID 162080940) is 2-methylprop-2-enoic acid;propane-1,3-diol;bis(prop-2-enoic acid).
What is the SMILES notation for 2-methylprop-2-enoic acid;propane-1,3-diol;bis(prop-2-enoic acid)?
The canonical SMILES for 2-methylprop-2-enoic acid;propane-1,3-diol;bis(prop-2-enoic acid) is C=C(C)C(=O)O.C=CC(=O)O.C=CC(=O)O.OCCCO.
What is the InChIKey of 2-methylprop-2-enoic acid;propane-1,3-diol;bis(prop-2-enoic acid)?
The InChIKey is ZCIGPXIYWOGKLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O2.2C3H4O2.C3H8O2/c1-3(2)4(5)6;2*1-2-3(4)5;4-2-1-3-5/h1H2,2H3,(H,5,6);2*2H,1H2,(H,4,5);4-5H,1-3H2.
What are the key properties of 2-methylprop-2-enoic acid;propane-1,3-diol;bis(prop-2-enoic acid)?
2-methylprop-2-enoic acid;propane-1,3-diol;bis(prop-2-enoic acid) has a molecular weight of 306.31 g/mol, XLogP of 0.52, 5 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylprop-2-enoic acid;propane-1,3-diol;bis(prop-2-enoic acid) is sourced from PubChem (CID 162080940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).