ethane-1,2-diol;methyl prop-2-enoate;bis(2-methylprop-2-enoic acid)

C14H24O8 — CID 175208053

IUPACethane-1,2-diol;methyl prop-2-enoate;bis(2-methylprop-2-enoic acid)
SMILESC=C(C)C(=O)O.C=C(C)C(=O)O.C=CC(=O)OC.OCCO
InChIInChI=1S/3C4H6O2.C2H6O2/c1-3-4(5)6-2;2*1-3(2)4(5)6;3-1-2-4/h3H,1H2,2H3;2*1H2,2H3,(H,5,6);3-4H,1-2H2
InChIKeyCAGUKYPVWRKKCV-UHFFFAOYSA-N
MW320.34 g/mol
LogP0.61
Rot. Bonds4

About ethane-1,2-diol;methyl prop-2-enoate;bis(2-methylprop-2-enoic acid)

ethane-1,2-diol;methyl prop-2-enoate;bis(2-methylprop-2-enoic acid) (PubChem CID 175208053) has the molecular formula C14H24O8 and a molecular weight of 320.34 g/mol. Its IUPAC name is ethane-1,2-diol;methyl prop-2-enoate;bis(2-methylprop-2-enoic acid).

Molecular Properties

Compound Nameethane-1,2-diol;methyl prop-2-enoate;bis(2-methylprop-2-enoic acid)
PubChem CID175208053
Molecular FormulaC14H24O8
Molecular Weight320.34 g/mol
Exact Mass320.15
IUPAC Nameethane-1,2-diol;methyl prop-2-enoate;bis(2-methylprop-2-enoic acid)
SMILESC=C(C)C(=O)O.C=C(C)C(=O)O.C=CC(=O)OC.OCCO
InChIInChI=1S/3C4H6O2.C2H6O2/c1-3-4(5)6-2;2*1-3(2)4(5)6;3-1-2-4/h3H,1H2,2H3;2*1H2,2H3,(H,5,6);3-4H,1-2H2
InChIKeyCAGUKYPVWRKKCV-UHFFFAOYSA-N
XLogP0.61
TPSA141.36 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.34
LogP ≤ 50.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze ethane-1,2-diol;methyl prop-2-enoate;bis(2-methylprop-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

azane;methyl 2-methylprop-2-enoate;methyl prop-2-enoate;2-methylprop-2-enoic acid
CID 173410542
bis(ethane-1,2-diol);2-methylprop-2-enoic acid;prop-2-enoic acid
CID 173402530
ethane-1,2-diol;bis(2-methylprop-2-enoic acid);tetrakis(prop-1-ene)
CID 174760131
N-(hydroxymethyl)-2-methylprop-2-enamide;methyl prop-2-enoate
CID 158189106
bis(methyl prop-2-enoate);propane
CID 160610529
2-(2-hydroxyethoxy)ethanol;bis(methyl prop-2-enoate)
CID 160785980
bis(ethane-1,2-diol);ethene;2-methylprop-2-enoic acid
CID 173395438
formaldehyde;bis(methyl prop-2-enoate)
CID 174834920
azane;2-methylidenebutanedioic acid;methyl prop-2-enoate
CID 88746751
methyl 2-hydroxyprop-2-enoate;methyl 2-methylprop-2-enoate;methyl prop-2-enoate
CID 174692194
ethane-1,2-diol;1-(2-methoxyethoxy)ethyl prop-2-enoate;bis(2-methylprop-2-enoic acid)
CID 174974032
benzene;ethene;methyl prop-2-enoate
CID 174897686

Frequently Asked Questions

What is the IUPAC name of ethane-1,2-diol;methyl prop-2-enoate;bis(2-methylprop-2-enoic acid)?
The IUPAC name of ethane-1,2-diol;methyl prop-2-enoate;bis(2-methylprop-2-enoic acid) (CID 175208053) is ethane-1,2-diol;methyl prop-2-enoate;bis(2-methylprop-2-enoic acid).
What is the SMILES notation for ethane-1,2-diol;methyl prop-2-enoate;bis(2-methylprop-2-enoic acid)?
The canonical SMILES for ethane-1,2-diol;methyl prop-2-enoate;bis(2-methylprop-2-enoic acid) is C=C(C)C(=O)O.C=C(C)C(=O)O.C=CC(=O)OC.OCCO.
What is the InChIKey of ethane-1,2-diol;methyl prop-2-enoate;bis(2-methylprop-2-enoic acid)?
The InChIKey is CAGUKYPVWRKKCV-UHFFFAOYSA-N. The full InChI is InChI=1S/3C4H6O2.C2H6O2/c1-3-4(5)6-2;2*1-3(2)4(5)6;3-1-2-4/h3H,1H2,2H3;2*1H2,2H3,(H,5,6);3-4H,1-2H2.
What are the key properties of ethane-1,2-diol;methyl prop-2-enoate;bis(2-methylprop-2-enoic acid)?
ethane-1,2-diol;methyl prop-2-enoate;bis(2-methylprop-2-enoic acid) has a molecular weight of 320.34 g/mol, XLogP of 0.61, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane-1,2-diol;methyl prop-2-enoate;bis(2-methylprop-2-enoic acid) is sourced from PubChem (CID 175208053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).