bis(ethane-1,2-diol);ethene;2-(2-methylprop-2-enoyloxy)propyl 2-methylprop-2-enoate

C43H84O8 — CID 173326702

IUPACbis(ethane-1,2-diol);ethene;2-(2-methylprop-2-enoyloxy)propyl 2-methylprop-2-enoate
SMILESC=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C(C)C(=O)OCC(C)OC(=O)C(=C)C.OCCO.OCCO
InChIInChI=1S/C11H16O4.2C2H6O2.14C2H4/c1-7(2)10(12)14-6-9(5)15-11(13)8(3)4;2*3-1-2-4;14*1-2/h9H,1,3,6H2,2,4-5H3;2*3-4H,1-2H2;14*1-2H2
InChIKeyCHTNFEPFLJHOMS-UHFFFAOYSA-N
MW729.14 g/mol
LogP10.79
Rot. Bonds7

About bis(ethane-1,2-diol);ethene;2-(2-methylprop-2-enoyloxy)propyl 2-methylprop-2-enoate

bis(ethane-1,2-diol);ethene;2-(2-methylprop-2-enoyloxy)propyl 2-methylprop-2-enoate (PubChem CID 173326702) has the molecular formula C43H84O8 and a molecular weight of 729.14 g/mol. Its IUPAC name is bis(ethane-1,2-diol);ethene;2-(2-methylprop-2-enoyloxy)propyl 2-methylprop-2-enoate.

Molecular Properties

Compound Namebis(ethane-1,2-diol);ethene;2-(2-methylprop-2-enoyloxy)propyl 2-methylprop-2-enoate
PubChem CID173326702
Molecular FormulaC43H84O8
Molecular Weight729.14 g/mol
Exact Mass728.62
IUPAC Namebis(ethane-1,2-diol);ethene;2-(2-methylprop-2-enoyloxy)propyl 2-methylprop-2-enoate
SMILESC=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C(C)C(=O)OCC(C)OC(=O)C(=C)C.OCCO.OCCO
InChIInChI=1S/C11H16O4.2C2H6O2.14C2H4/c1-7(2)10(12)14-6-9(5)15-11(13)8(3)4;2*3-1-2-4;14*1-2/h9H,1,3,6H2,2,4-5H3;2*3-4H,1-2H2;14*1-2H2
InChIKeyCHTNFEPFLJHOMS-UHFFFAOYSA-N
XLogP10.79
TPSA133.52 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500729.14
LogP ≤ 510.79
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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-[2-[2-[2-[2-[2-[2-[2-(2-methylprop-2-enoyloxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propyl 2-methylprop-2-enoate
CID 18762108
2,4-dimethylpentane-1,5-diol;2-[2-(2-methylprop-2-enoyloxy)propoxy]propyl 2-methylprop-2-enoate
CID 87523878
ethane-1,2-diol;[3-hydroxy-2-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate
CID 22129264
[2-methyl-4-(2-methylprop-2-enoyloxy)pentyl] 2-methylprop-2-enoate
CID 19428958
ethane-1,2-diol;[2-methoxy-2-(2-methylprop-2-enoyloxy)ethyl] 2-methylprop-2-enoate
CID 87169157
1-[2-(2-methylprop-2-enoyloxy)propoxyperoxy]propan-2-yl 2-methylprop-2-enoate
CID 90187084
1-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate;2-[2-[2-(2-methylprop-2-enoyloxy)propoxy]propoxy]propyl 2-methylprop-2-enoate
CID 87844195
1-[1-(1-hydroxypropan-2-yloxy)propan-2-yloxy]propan-2-yl 2-methylprop-2-enoate
CID 19734689
[(2S,4S)-4-(2-methylprop-2-enoyloxy)pentan-2-yl] 2-methylprop-2-enoate
CID 101184166
2-(2-methylprop-2-enoyloxy)propoxyazanium chloride
CID 19386098
1-[bis[2-(2-methylprop-2-enoyloxy)propoxy]phosphanyloxy]propan-2-yl 2-methylprop-2-enoate
CID 139653960
1-[1-[2-[2-(2-methylprop-2-enoyloxy)propoxy]propoxy]propan-2-yloxy]propan-2-yl 2-methylprop-2-enoate
CID 56999639

Frequently Asked Questions

What is the IUPAC name of bis(ethane-1,2-diol);ethene;2-(2-methylprop-2-enoyloxy)propyl 2-methylprop-2-enoate?
The IUPAC name of bis(ethane-1,2-diol);ethene;2-(2-methylprop-2-enoyloxy)propyl 2-methylprop-2-enoate (CID 173326702) is bis(ethane-1,2-diol);ethene;2-(2-methylprop-2-enoyloxy)propyl 2-methylprop-2-enoate.
What is the SMILES notation for bis(ethane-1,2-diol);ethene;2-(2-methylprop-2-enoyloxy)propyl 2-methylprop-2-enoate?
The canonical SMILES for bis(ethane-1,2-diol);ethene;2-(2-methylprop-2-enoyloxy)propyl 2-methylprop-2-enoate is C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C(C)C(=O)OCC(C)OC(=O)C(=C)C.OCCO.OCCO.
What is the InChIKey of bis(ethane-1,2-diol);ethene;2-(2-methylprop-2-enoyloxy)propyl 2-methylprop-2-enoate?
The InChIKey is CHTNFEPFLJHOMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O4.2C2H6O2.14C2H4/c1-7(2)10(12)14-6-9(5)15-11(13)8(3)4;2*3-1-2-4;14*1-2/h9H,1,3,6H2,2,4-5H3;2*3-4H,1-2H2;14*1-2H2.
What are the key properties of bis(ethane-1,2-diol);ethene;2-(2-methylprop-2-enoyloxy)propyl 2-methylprop-2-enoate?
bis(ethane-1,2-diol);ethene;2-(2-methylprop-2-enoyloxy)propyl 2-methylprop-2-enoate has a molecular weight of 729.14 g/mol, XLogP of 10.79, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(ethane-1,2-diol);ethene;2-(2-methylprop-2-enoyloxy)propyl 2-methylprop-2-enoate is sourced from PubChem (CID 173326702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).