[2-hydroxy-1,1-bis(2-methylprop-2-enoyloxy)ethyl] 2-methylprop-2-enoate

C14H18O7 — CID 139619196

IUPAC[2-hydroxy-1,1-bis(2-methylprop-2-enoyloxy)ethyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(CO)(OC(=O)C(=C)C)OC(=O)C(=C)C
InChIInChI=1S/C14H18O7/c1-8(2)11(16)19-14(7-15,20-12(17)9(3)4)21-13(18)10(5)6/h15H,1,3,5,7H2,2,4,6H3
InChIKeyWQEXCXISQOTCOQ-UHFFFAOYSA-N
MW298.29 g/mol
LogP0.99
Rot. Bonds7

About [2-hydroxy-1,1-bis(2-methylprop-2-enoyloxy)ethyl] 2-methylprop-2-enoate

[2-hydroxy-1,1-bis(2-methylprop-2-enoyloxy)ethyl] 2-methylprop-2-enoate (PubChem CID 139619196) has the molecular formula C14H18O7 and a molecular weight of 298.29 g/mol. Its IUPAC name is [2-hydroxy-1,1-bis(2-methylprop-2-enoyloxy)ethyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[2-hydroxy-1,1-bis(2-methylprop-2-enoyloxy)ethyl] 2-methylprop-2-enoate
PubChem CID139619196
Molecular FormulaC14H18O7
Molecular Weight298.29 g/mol
Exact Mass298.11
IUPAC Name[2-hydroxy-1,1-bis(2-methylprop-2-enoyloxy)ethyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(CO)(OC(=O)C(=C)C)OC(=O)C(=C)C
InChIInChI=1S/C14H18O7/c1-8(2)11(16)19-14(7-15,20-12(17)9(3)4)21-13(18)10(5)6/h15H,1,3,5,7H2,2,4,6H3
InChIKeyWQEXCXISQOTCOQ-UHFFFAOYSA-N
XLogP0.99
TPSA99.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.29
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'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

[4-hydroxy-3,3-bis(hydroxymethyl)-1,1-bis(2-methylprop-2-enoyloxy)butyl] 2-methylprop-2-enoate
CID 172736329
[4-hydroxy-1,1-bis(2-methylprop-2-enoyloxy)butyl] 2-methylprop-2-enoate
CID 87402298
[3-methoxysilyl-1,1-bis(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate
CID 173124808
1,1-dihydroxyethyl 2-methylprop-2-enoate
CID 54314895
[1,4-dihydroxy-2-(hydroxymethyl)-3-methylbutan-2-yl] 2-methylprop-2-enoate
CID 22174301
3-methylpent-1-yn-3-yl 2-methylprop-2-enoate
CID 54513206
1,1,2-triaminoethyl 2-methylprop-2-enoate;hydrochloride
CID 87615318
[2,6-dimethyl-6-(2-methylprop-2-enoyloxy)-4-oxoheptan-2-yl] 2-methylprop-2-enoate
CID 139852007
1,1,2-tribromoethyl 2-methylprop-2-enoate
CID 87486491
[1-hydroxy-4-(hydroxymethyl)-5-methyl-1-(2-methylprop-2-enoyloxy)-4-propan-2-ylhexyl] 2-methylprop-2-enoate
CID 153344762
hydroxymethyl 2-methylprop-2-enoate
CID 159274421
[2-hydroxy-2-(hydroxymethyl)-3-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate
CID 87558283

Frequently Asked Questions

What is the IUPAC name of [2-hydroxy-1,1-bis(2-methylprop-2-enoyloxy)ethyl] 2-methylprop-2-enoate?
The IUPAC name of [2-hydroxy-1,1-bis(2-methylprop-2-enoyloxy)ethyl] 2-methylprop-2-enoate (CID 139619196) is [2-hydroxy-1,1-bis(2-methylprop-2-enoyloxy)ethyl] 2-methylprop-2-enoate.
What is the SMILES notation for [2-hydroxy-1,1-bis(2-methylprop-2-enoyloxy)ethyl] 2-methylprop-2-enoate?
The canonical SMILES for [2-hydroxy-1,1-bis(2-methylprop-2-enoyloxy)ethyl] 2-methylprop-2-enoate is C=C(C)C(=O)OC(CO)(OC(=O)C(=C)C)OC(=O)C(=C)C.
What is the InChIKey of [2-hydroxy-1,1-bis(2-methylprop-2-enoyloxy)ethyl] 2-methylprop-2-enoate?
The InChIKey is WQEXCXISQOTCOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O7/c1-8(2)11(16)19-14(7-15,20-12(17)9(3)4)21-13(18)10(5)6/h15H,1,3,5,7H2,2,4,6H3.
What are the key properties of [2-hydroxy-1,1-bis(2-methylprop-2-enoyloxy)ethyl] 2-methylprop-2-enoate?
[2-hydroxy-1,1-bis(2-methylprop-2-enoyloxy)ethyl] 2-methylprop-2-enoate has a molecular weight of 298.29 g/mol, XLogP of 0.99, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-hydroxy-1,1-bis(2-methylprop-2-enoyloxy)ethyl] 2-methylprop-2-enoate is sourced from PubChem (CID 139619196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).