ethane-1,2-diol;bis(2-methylprop-2-enoic acid);tetrakis(prop-1-ene)

C22H42O6 — CID 174760131

IUPACethane-1,2-diol;bis(2-methylprop-2-enoic acid);tetrakis(prop-1-ene)
SMILESC=C(C)C(=O)O.C=C(C)C(=O)O.C=CC.C=CC.C=CC.C=CC.OCCO
InChIInChI=1S/2C4H6O2.4C3H6.C2H6O2/c2*1-3(2)4(5)6;4*1-3-2;3-1-2-4/h2*1H2,2H3,(H,5,6);4*3H,1H2,2H3;3-4H,1-2H2
InChIKeyLHPHAUQGWRGBRD-UHFFFAOYSA-N
MW402.57 g/mol
LogP5.03
Rot. Bonds3

About ethane-1,2-diol;bis(2-methylprop-2-enoic acid);tetrakis(prop-1-ene)

ethane-1,2-diol;bis(2-methylprop-2-enoic acid);tetrakis(prop-1-ene) (PubChem CID 174760131) has the molecular formula C22H42O6 and a molecular weight of 402.57 g/mol. Its IUPAC name is ethane-1,2-diol;bis(2-methylprop-2-enoic acid);tetrakis(prop-1-ene).

Molecular Properties

Compound Nameethane-1,2-diol;bis(2-methylprop-2-enoic acid);tetrakis(prop-1-ene)
PubChem CID174760131
Molecular FormulaC22H42O6
Molecular Weight402.57 g/mol
Exact Mass402.30
IUPAC Nameethane-1,2-diol;bis(2-methylprop-2-enoic acid);tetrakis(prop-1-ene)
SMILESC=C(C)C(=O)O.C=C(C)C(=O)O.C=CC.C=CC.C=CC.C=CC.OCCO
InChIInChI=1S/2C4H6O2.4C3H6.C2H6O2/c2*1-3(2)4(5)6;4*1-3-2;3-1-2-4/h2*1H2,2H3,(H,5,6);4*3H,1H2,2H3;3-4H,1-2H2
InChIKeyLHPHAUQGWRGBRD-UHFFFAOYSA-N
XLogP5.03
TPSA115.06 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.57
LogP ≤ 55.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methylprop-2-enoic acid;tris(prop-1-ene)
CID 160578185
bis(ethane-1,2-diol);2-methylprop-2-enoic acid;prop-2-enoic acid
CID 173402530
bis(ethane-1,2-diol);ethene;2-methylprop-2-enoic acid
CID 173395438
2,2-dimethylpropane;ethane-1,2-diol;bis(2-methylprop-2-enoic acid)
CID 174523782
2-methylprop-1-ene;2-methylprop-2-enoic acid;prop-1-ene;prop-2-enoic acid
CID 162195098
2-methylprop-2-enoic acid;propane-1,3-diol;bis(prop-2-enoic acid)
CID 162080940
ethane-1,2-diol;methyl prop-2-enoate;bis(2-methylprop-2-enoic acid)
CID 175208053
dodecane-1,12-diol;2-methylprop-2-enoic acid;bis(prop-2-enoic acid)
CID 158703617
bis(2-methylprop-2-enoic acid);octane-1,8-diol
CID 87149429
2-bromoethanol;2-methylprop-2-enoic acid
CID 163915230
ethane-1,2-diol;bis(2-methylprop-2-enoic acid);octadecane
CID 173068798
ethane-1,2-diol;tetrakis(2-methylprop-2-enoic acid);propane-1,2-diol
CID 173026059

Frequently Asked Questions

What is the IUPAC name of ethane-1,2-diol;bis(2-methylprop-2-enoic acid);tetrakis(prop-1-ene)?
The IUPAC name of ethane-1,2-diol;bis(2-methylprop-2-enoic acid);tetrakis(prop-1-ene) (CID 174760131) is ethane-1,2-diol;bis(2-methylprop-2-enoic acid);tetrakis(prop-1-ene).
What is the SMILES notation for ethane-1,2-diol;bis(2-methylprop-2-enoic acid);tetrakis(prop-1-ene)?
The canonical SMILES for ethane-1,2-diol;bis(2-methylprop-2-enoic acid);tetrakis(prop-1-ene) is C=C(C)C(=O)O.C=C(C)C(=O)O.C=CC.C=CC.C=CC.C=CC.OCCO.
What is the InChIKey of ethane-1,2-diol;bis(2-methylprop-2-enoic acid);tetrakis(prop-1-ene)?
The InChIKey is LHPHAUQGWRGBRD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H6O2.4C3H6.C2H6O2/c2*1-3(2)4(5)6;4*1-3-2;3-1-2-4/h2*1H2,2H3,(H,5,6);4*3H,1H2,2H3;3-4H,1-2H2.
What are the key properties of ethane-1,2-diol;bis(2-methylprop-2-enoic acid);tetrakis(prop-1-ene)?
ethane-1,2-diol;bis(2-methylprop-2-enoic acid);tetrakis(prop-1-ene) has a molecular weight of 402.57 g/mol, XLogP of 5.03, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane-1,2-diol;bis(2-methylprop-2-enoic acid);tetrakis(prop-1-ene) is sourced from PubChem (CID 174760131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).