butyl 2-methylprop-2-enoate;oxiran-2-ylmethyl 2-methylprop-2-enoate

C15H24O5 — CID 23469697

IUPACbutyl 2-methylprop-2-enoate;oxiran-2-ylmethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC1CO1.C=C(C)C(=O)OCCCC
InChIInChI=1S/C8H14O2.C7H10O3/c1-4-5-6-10-8(9)7(2)3;1-5(2)7(8)10-4-6-3-9-6/h2,4-6H2,1,3H3;6H,1,3-4H2,2H3
InChIKeyZEUOSKCINBQISB-UHFFFAOYSA-N
MW284.35 g/mol
LogP2.41
Rot. Bonds7

About butyl 2-methylprop-2-enoate;oxiran-2-ylmethyl 2-methylprop-2-enoate

butyl 2-methylprop-2-enoate;oxiran-2-ylmethyl 2-methylprop-2-enoate (PubChem CID 23469697) has the molecular formula C15H24O5 and a molecular weight of 284.35 g/mol. Its IUPAC name is butyl 2-methylprop-2-enoate;oxiran-2-ylmethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Namebutyl 2-methylprop-2-enoate;oxiran-2-ylmethyl 2-methylprop-2-enoate
PubChem CID23469697
Molecular FormulaC15H24O5
Molecular Weight284.35 g/mol
Exact Mass284.16
IUPAC Namebutyl 2-methylprop-2-enoate;oxiran-2-ylmethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC1CO1.C=C(C)C(=O)OCCCC
InChIInChI=1S/C8H14O2.C7H10O3/c1-4-5-6-10-8(9)7(2)3;1-5(2)7(8)10-4-6-3-9-6/h2,4-6H2,1,3H3;6H,1,3-4H2,2H3
InChIKeyZEUOSKCINBQISB-UHFFFAOYSA-N
XLogP2.41
TPSA65.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.35
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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 butyl 2-methylprop-2-enoate;oxiran-2-ylmethyl 2-methylprop-2-enoate?
The IUPAC name of butyl 2-methylprop-2-enoate;oxiran-2-ylmethyl 2-methylprop-2-enoate (CID 23469697) is butyl 2-methylprop-2-enoate;oxiran-2-ylmethyl 2-methylprop-2-enoate.
What is the SMILES notation for butyl 2-methylprop-2-enoate;oxiran-2-ylmethyl 2-methylprop-2-enoate?
The canonical SMILES for butyl 2-methylprop-2-enoate;oxiran-2-ylmethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCC1CO1.C=C(C)C(=O)OCCCC.
What is the InChIKey of butyl 2-methylprop-2-enoate;oxiran-2-ylmethyl 2-methylprop-2-enoate?
The InChIKey is ZEUOSKCINBQISB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2.C7H10O3/c1-4-5-6-10-8(9)7(2)3;1-5(2)7(8)10-4-6-3-9-6/h2,4-6H2,1,3H3;6H,1,3-4H2,2H3.
What are the key properties of butyl 2-methylprop-2-enoate;oxiran-2-ylmethyl 2-methylprop-2-enoate?
butyl 2-methylprop-2-enoate;oxiran-2-ylmethyl 2-methylprop-2-enoate has a molecular weight of 284.35 g/mol, XLogP of 2.41, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 2-methylprop-2-enoate;oxiran-2-ylmethyl 2-methylprop-2-enoate is sourced from PubChem (CID 23469697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).