bis(ethane-1,2-diol);4-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate

C16H30O8 — CID 88656789

IUPACbis(ethane-1,2-diol);4-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCCOC(=O)C(=C)C.OCCO.OCCO
InChIInChI=1S/C12H18O4.2C2H6O2/c1-9(2)11(13)15-7-5-6-8-16-12(14)10(3)4;2*3-1-2-4/h1,3,5-8H2,2,4H3;2*3-4H,1-2H2
InChIKeyUMIGHGAJBJZCLU-UHFFFAOYSA-N
MW350.41 g/mol
LogP-0.05
Rot. Bonds9

About bis(ethane-1,2-diol);4-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate

bis(ethane-1,2-diol);4-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate (PubChem CID 88656789) has the molecular formula C16H30O8 and a molecular weight of 350.41 g/mol. Its IUPAC name is bis(ethane-1,2-diol);4-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate.

Molecular Properties

Compound Namebis(ethane-1,2-diol);4-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate
PubChem CID88656789
Molecular FormulaC16H30O8
Molecular Weight350.41 g/mol
Exact Mass350.19
IUPAC Namebis(ethane-1,2-diol);4-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCCOC(=O)C(=C)C.OCCO.OCCO
InChIInChI=1S/C12H18O4.2C2H6O2/c1-9(2)11(13)15-7-5-6-8-16-12(14)10(3)4;2*3-1-2-4/h1,3,5-8H2,2,4H3;2*3-4H,1-2H2
InChIKeyUMIGHGAJBJZCLU-UHFFFAOYSA-N
XLogP-0.05
TPSA133.52 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.41
LogP ≤ 5-0.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

hexane-1,6-diol;9-(2-methylprop-2-enoyloxy)nonyl 2-methylprop-2-enoate
CID 90169594
bis[4-(2-methylprop-2-enoyloxy)butyl] oxalate
CID 118147382
4-hydroxybutyl 2-methylprop-2-enoate;2-hydroxyethyl 2-methylprop-2-enoate
CID 87803089
ethene;4-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate;6-(2-methylprop-2-enoyloxy)hexyl 2-methylprop-2-enoate
CID 88685309
4-[4-[4-(2-methylprop-2-enoyloxy)butoxy]butoxy]butyl 2-methylprop-2-enoate
CID 101360150
4-acetyloxybutyl 2-methylprop-2-enoate
CID 21403527
butan-1-ol;heptyl 2-methylprop-2-enoate
CID 118690093
11-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]undecyl 2-methylprop-2-enoate
CID 87263491
2-hydroxyethyl 2-methylprop-2-enoate;octyl 2-methylprop-2-enoate
CID 22757411
6-chlorohexyl 2-methylprop-2-enoate;ethane-1,2-diol;bis(2-methylprop-2-enoic acid)
CID 86748899
octatetracontyl 2-methylprop-2-enoate
CID 141233444
7-methoxyheptyl 2-methylprop-2-enoate
CID 58788817

Frequently Asked Questions

What is the IUPAC name of bis(ethane-1,2-diol);4-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate?
The IUPAC name of bis(ethane-1,2-diol);4-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate (CID 88656789) is bis(ethane-1,2-diol);4-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate.
What is the SMILES notation for bis(ethane-1,2-diol);4-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate?
The canonical SMILES for bis(ethane-1,2-diol);4-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCCCOC(=O)C(=C)C.OCCO.OCCO.
What is the InChIKey of bis(ethane-1,2-diol);4-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate?
The InChIKey is UMIGHGAJBJZCLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O4.2C2H6O2/c1-9(2)11(13)15-7-5-6-8-16-12(14)10(3)4;2*3-1-2-4/h1,3,5-8H2,2,4H3;2*3-4H,1-2H2.
What are the key properties of bis(ethane-1,2-diol);4-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate?
bis(ethane-1,2-diol);4-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate has a molecular weight of 350.41 g/mol, XLogP of -0.05, 9 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);4-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate is sourced from PubChem (CID 88656789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).