butyl 2-methylprop-2-enoate;ethyl 2-methylprop-2-enoate

C14H24O4 — CID 22917869

IUPACbutyl 2-methylprop-2-enoate;ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC.C=C(C)C(=O)OCCCC
InChIInChI=1S/C8H14O2.C6H10O2/c1-4-5-6-10-8(9)7(2)3;1-4-8-6(7)5(2)3/h2,4-6H2,1,3H3;2,4H2,1,3H3
InChIKeyUHBIKYZYYOEGHM-UHFFFAOYSA-N
MW256.34 g/mol
LogP3.03
Rot. Bonds6

About butyl 2-methylprop-2-enoate;ethyl 2-methylprop-2-enoate

butyl 2-methylprop-2-enoate;ethyl 2-methylprop-2-enoate (PubChem CID 22917869) has the molecular formula C14H24O4 and a molecular weight of 256.34 g/mol. Its IUPAC name is butyl 2-methylprop-2-enoate;ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Namebutyl 2-methylprop-2-enoate;ethyl 2-methylprop-2-enoate
PubChem CID22917869
Molecular FormulaC14H24O4
Molecular Weight256.34 g/mol
Exact Mass256.17
IUPAC Namebutyl 2-methylprop-2-enoate;ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC.C=C(C)C(=O)OCCCC
InChIInChI=1S/C8H14O2.C6H10O2/c1-4-5-6-10-8(9)7(2)3;1-4-8-6(7)5(2)3/h2,4-6H2,1,3H3;2,4H2,1,3H3
InChIKeyUHBIKYZYYOEGHM-UHFFFAOYSA-N
XLogP3.03
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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 butyl 2-methylprop-2-enoate;ethyl 2-methylprop-2-enoate?
The IUPAC name of butyl 2-methylprop-2-enoate;ethyl 2-methylprop-2-enoate (CID 22917869) is butyl 2-methylprop-2-enoate;ethyl 2-methylprop-2-enoate.
What is the SMILES notation for butyl 2-methylprop-2-enoate;ethyl 2-methylprop-2-enoate?
The canonical SMILES for butyl 2-methylprop-2-enoate;ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCC.C=C(C)C(=O)OCCCC.
What is the InChIKey of butyl 2-methylprop-2-enoate;ethyl 2-methylprop-2-enoate?
The InChIKey is UHBIKYZYYOEGHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2.C6H10O2/c1-4-5-6-10-8(9)7(2)3;1-4-8-6(7)5(2)3/h2,4-6H2,1,3H3;2,4H2,1,3H3.
What are the key properties of butyl 2-methylprop-2-enoate;ethyl 2-methylprop-2-enoate?
butyl 2-methylprop-2-enoate;ethyl 2-methylprop-2-enoate has a molecular weight of 256.34 g/mol, XLogP of 3.03, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 2-methylprop-2-enoate;ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 22917869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).