methyl 2-methylprop-2-enoate;2-prop-2-enoyloxyethyl prop-2-enoate

C13H18O6 — CID 158382330

IUPACmethyl 2-methylprop-2-enoate;2-prop-2-enoyloxyethyl prop-2-enoate
SMILESC=C(C)C(=O)OC.C=CC(=O)OCCOC(=O)C=C
InChIInChI=1S/C8H10O4.C5H8O2/c1-3-7(9)11-5-6-12-8(10)4-2;1-4(2)5(6)7-3/h3-4H,1-2,5-6H2;1H2,2-3H3
InChIKeyGVYHQJBCRKJVFU-UHFFFAOYSA-N
MW270.28 g/mol
LogP1.18
Rot. Bonds6

About methyl 2-methylprop-2-enoate;2-prop-2-enoyloxyethyl prop-2-enoate

methyl 2-methylprop-2-enoate;2-prop-2-enoyloxyethyl prop-2-enoate (PubChem CID 158382330) has the molecular formula C13H18O6 and a molecular weight of 270.28 g/mol. Its IUPAC name is methyl 2-methylprop-2-enoate;2-prop-2-enoyloxyethyl prop-2-enoate.

Molecular Properties

Compound Namemethyl 2-methylprop-2-enoate;2-prop-2-enoyloxyethyl prop-2-enoate
PubChem CID158382330
Molecular FormulaC13H18O6
Molecular Weight270.28 g/mol
Exact Mass270.11
IUPAC Namemethyl 2-methylprop-2-enoate;2-prop-2-enoyloxyethyl prop-2-enoate
SMILESC=C(C)C(=O)OC.C=CC(=O)OCCOC(=O)C=C
InChIInChI=1S/C8H10O4.C5H8O2/c1-3-7(9)11-5-6-12-8(10)4-2;1-4(2)5(6)7-3/h3-4H,1-2,5-6H2;1H2,2-3H3
InChIKeyGVYHQJBCRKJVFU-UHFFFAOYSA-N
XLogP1.18
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 51.18
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 2-methylprop-2-enoate;2-prop-2-enoyloxyethyl prop-2-enoate?
The IUPAC name of methyl 2-methylprop-2-enoate;2-prop-2-enoyloxyethyl prop-2-enoate (CID 158382330) is methyl 2-methylprop-2-enoate;2-prop-2-enoyloxyethyl prop-2-enoate.
What is the SMILES notation for methyl 2-methylprop-2-enoate;2-prop-2-enoyloxyethyl prop-2-enoate?
The canonical SMILES for methyl 2-methylprop-2-enoate;2-prop-2-enoyloxyethyl prop-2-enoate is C=C(C)C(=O)OC.C=CC(=O)OCCOC(=O)C=C.
What is the InChIKey of methyl 2-methylprop-2-enoate;2-prop-2-enoyloxyethyl prop-2-enoate?
The InChIKey is GVYHQJBCRKJVFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O4.C5H8O2/c1-3-7(9)11-5-6-12-8(10)4-2;1-4(2)5(6)7-3/h3-4H,1-2,5-6H2;1H2,2-3H3.
What are the key properties of methyl 2-methylprop-2-enoate;2-prop-2-enoyloxyethyl prop-2-enoate?
methyl 2-methylprop-2-enoate;2-prop-2-enoyloxyethyl prop-2-enoate has a molecular weight of 270.28 g/mol, XLogP of 1.18, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methylprop-2-enoate;2-prop-2-enoyloxyethyl prop-2-enoate is sourced from PubChem (CID 158382330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).