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

C18H32O10 — CID 174974032

IUPACethane-1,2-diol;1-(2-methoxyethoxy)ethyl 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(C)OCCOC.OCCO
InChIInChI=1S/C8H14O4.2C4H6O2.C2H6O2/c1-4-8(9)12-7(2)11-6-5-10-3;2*1-3(2)4(5)6;3-1-2-4/h4,7H,1,5-6H2,2-3H3;2*1H2,2H3,(H,5,6);3-4H,1-2H2
InChIKeyNDMPBDOIKWKAGF-UHFFFAOYSA-N
MW408.44 g/mol
LogP0.99
Rot. Bonds9

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

ethane-1,2-diol;1-(2-methoxyethoxy)ethyl prop-2-enoate;bis(2-methylprop-2-enoic acid) (PubChem CID 174974032) has the molecular formula C18H32O10 and a molecular weight of 408.44 g/mol. Its IUPAC name is ethane-1,2-diol;1-(2-methoxyethoxy)ethyl prop-2-enoate;bis(2-methylprop-2-enoic acid).

Molecular Properties

Compound Nameethane-1,2-diol;1-(2-methoxyethoxy)ethyl prop-2-enoate;bis(2-methylprop-2-enoic acid)
PubChem CID174974032
Molecular FormulaC18H32O10
Molecular Weight408.44 g/mol
Exact Mass408.20
IUPAC Nameethane-1,2-diol;1-(2-methoxyethoxy)ethyl 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(C)OCCOC.OCCO
InChIInChI=1S/C8H14O4.2C4H6O2.C2H6O2/c1-4-8(9)12-7(2)11-6-5-10-3;2*1-3(2)4(5)6;3-1-2-4/h4,7H,1,5-6H2,2-3H3;2*1H2,2H3,(H,5,6);3-4H,1-2H2
InChIKeyNDMPBDOIKWKAGF-UHFFFAOYSA-N
XLogP0.99
TPSA159.82 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.44
LogP ≤ 50.99
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

ethane-1,2-diol;methyl prop-2-enoate;bis(2-methylprop-2-enoic acid)
CID 175208053
2-hydroxyethyl prop-2-enoate;2-methylprop-2-enoic acid;propane-1,2-diol
CID 159522271
bis(ethane-1,2-diol);2-methylprop-2-enoic acid;prop-2-enoic acid
CID 173402530
1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-yl 2-methylprop-2-enoate;1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-yl prop-2-enoate
CID 87968331
1-(1-prop-2-enoyloxyethoxy)ethyl prop-2-enoate
CID 18008699
ethane-1,2-diol;bis(2-methylprop-2-enoic acid);tetrakis(prop-1-ene)
CID 174760131
2-methylidene-4-[1-(2-prop-2-enoyloxyethoxy)ethoxy]butanoic acid
CID 175196518
1-[2-(2-hydroxyethoxy)ethoxy]ethyl 2-methylprop-2-enoate
CID 141487666
bis(ethane-1,2-diol);ethene;2-methylprop-2-enoic acid
CID 173395438
2-methylprop-2-enoic acid;1-(oxiran-2-yl)ethyl prop-2-enoate
CID 174631406
ethane-1,2-diol;tetrakis(2-methylprop-2-enoic acid);propane-1,2-diol
CID 173026059
1-(3-chlorooctoxy)ethyl prop-2-enoate
CID 122446752

Frequently Asked Questions

What is the IUPAC name of ethane-1,2-diol;1-(2-methoxyethoxy)ethyl prop-2-enoate;bis(2-methylprop-2-enoic acid)?
The IUPAC name of ethane-1,2-diol;1-(2-methoxyethoxy)ethyl prop-2-enoate;bis(2-methylprop-2-enoic acid) (CID 174974032) is ethane-1,2-diol;1-(2-methoxyethoxy)ethyl prop-2-enoate;bis(2-methylprop-2-enoic acid).
What is the SMILES notation for ethane-1,2-diol;1-(2-methoxyethoxy)ethyl prop-2-enoate;bis(2-methylprop-2-enoic acid)?
The canonical SMILES for ethane-1,2-diol;1-(2-methoxyethoxy)ethyl 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(C)OCCOC.OCCO.
What is the InChIKey of ethane-1,2-diol;1-(2-methoxyethoxy)ethyl prop-2-enoate;bis(2-methylprop-2-enoic acid)?
The InChIKey is NDMPBDOIKWKAGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O4.2C4H6O2.C2H6O2/c1-4-8(9)12-7(2)11-6-5-10-3;2*1-3(2)4(5)6;3-1-2-4/h4,7H,1,5-6H2,2-3H3;2*1H2,2H3,(H,5,6);3-4H,1-2H2.
What are the key properties of ethane-1,2-diol;1-(2-methoxyethoxy)ethyl prop-2-enoate;bis(2-methylprop-2-enoic acid)?
ethane-1,2-diol;1-(2-methoxyethoxy)ethyl prop-2-enoate;bis(2-methylprop-2-enoic acid) has a molecular weight of 408.44 g/mol, XLogP of 0.99, 9 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethane-1,2-diol;1-(2-methoxyethoxy)ethyl prop-2-enoate;bis(2-methylprop-2-enoic acid) is sourced from PubChem (CID 174974032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).