2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;oxiran-2-ylmethyl 2-methylprop-2-enoate

C17H24O7 — CID 3082335

IUPAC2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;oxiran-2-ylmethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC1CO1.C=C(C)C(=O)OCCOC(=O)C(=C)C
InChIInChI=1S/C10H14O4.C7H10O3/c1-7(2)9(11)13-5-6-14-10(12)8(3)4;1-5(2)7(8)10-4-6-3-9-6/h1,3,5-6H2,2,4H3;6H,1,3-4H2,2H3
InChIKeyBHHCZVFCISJWIX-UHFFFAOYSA-N
MW340.37 g/mol
LogP1.73
Rot. Bonds8

About 2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;oxiran-2-ylmethyl 2-methylprop-2-enoate

2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;oxiran-2-ylmethyl 2-methylprop-2-enoate (PubChem CID 3082335) has the molecular formula C17H24O7 and a molecular weight of 340.37 g/mol. Its IUPAC name is 2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;oxiran-2-ylmethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;oxiran-2-ylmethyl 2-methylprop-2-enoate
PubChem CID3082335
Molecular FormulaC17H24O7
Molecular Weight340.37 g/mol
Exact Mass340.15
IUPAC Name2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;oxiran-2-ylmethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC1CO1.C=C(C)C(=O)OCCOC(=O)C(=C)C
InChIInChI=1S/C10H14O4.C7H10O3/c1-7(2)9(11)13-5-6-14-10(12)8(3)4;1-5(2)7(8)10-4-6-3-9-6/h1,3,5-6H2,2,4H3;6H,1,3-4H2,2H3
InChIKeyBHHCZVFCISJWIX-UHFFFAOYSA-N
XLogP1.73
TPSA91.43 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.37
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;oxiran-2-ylmethyl 2-methylprop-2-enoate?
The IUPAC name of 2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;oxiran-2-ylmethyl 2-methylprop-2-enoate (CID 3082335) is 2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;oxiran-2-ylmethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;oxiran-2-ylmethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;oxiran-2-ylmethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCC1CO1.C=C(C)C(=O)OCCOC(=O)C(=C)C.
What is the InChIKey of 2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;oxiran-2-ylmethyl 2-methylprop-2-enoate?
The InChIKey is BHHCZVFCISJWIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O4.C7H10O3/c1-7(2)9(11)13-5-6-14-10(12)8(3)4;1-5(2)7(8)10-4-6-3-9-6/h1,3,5-6H2,2,4H3;6H,1,3-4H2,2H3.
What are the key properties of 2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;oxiran-2-ylmethyl 2-methylprop-2-enoate?
2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;oxiran-2-ylmethyl 2-methylprop-2-enoate has a molecular weight of 340.37 g/mol, XLogP of 1.73, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;oxiran-2-ylmethyl 2-methylprop-2-enoate is sourced from PubChem (CID 3082335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).