methyl prop-2-enoate;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate

C14H20O6 — CID 87695274

IUPACmethyl prop-2-enoate;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCOC(=O)C(=C)C.C=CC(=O)OC
InChIInChI=1S/C10H14O4.C4H6O2/c1-7(2)9(11)13-5-6-14-10(12)8(3)4;1-3-4(5)6-2/h1,3,5-6H2,2,4H3;3H,1H2,2H3
InChIKeyCRDLSCHETAMAJG-UHFFFAOYSA-N
MW284.31 g/mol
LogP1.57
Rot. Bonds6

About methyl prop-2-enoate;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate

methyl prop-2-enoate;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate (PubChem CID 87695274) has the molecular formula C14H20O6 and a molecular weight of 284.31 g/mol. Its IUPAC name is methyl prop-2-enoate;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Namemethyl prop-2-enoate;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate
PubChem CID87695274
Molecular FormulaC14H20O6
Molecular Weight284.31 g/mol
Exact Mass284.13
IUPAC Namemethyl prop-2-enoate;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCOC(=O)C(=C)C.C=CC(=O)OC
InChIInChI=1S/C10H14O4.C4H6O2/c1-7(2)9(11)13-5-6-14-10(12)8(3)4;1-3-4(5)6-2/h1,3,5-6H2,2,4H3;3H,1H2,2H3
InChIKeyCRDLSCHETAMAJG-UHFFFAOYSA-N
XLogP1.57
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl prop-2-enoate;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate?
The IUPAC name of methyl prop-2-enoate;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate (CID 87695274) is methyl prop-2-enoate;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate.
What is the SMILES notation for methyl prop-2-enoate;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate?
The canonical SMILES for methyl prop-2-enoate;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCOC(=O)C(=C)C.C=CC(=O)OC.
What is the InChIKey of methyl prop-2-enoate;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate?
The InChIKey is CRDLSCHETAMAJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O4.C4H6O2/c1-7(2)9(11)13-5-6-14-10(12)8(3)4;1-3-4(5)6-2/h1,3,5-6H2,2,4H3;3H,1H2,2H3.
What are the key properties of methyl prop-2-enoate;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate?
methyl prop-2-enoate;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate has a molecular weight of 284.31 g/mol, XLogP of 1.57, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl prop-2-enoate;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 87695274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).