butyl 2-methylprop-2-enoate;2-methoxyethyl 2-methylprop-2-enoate

C15H26O5 — CID 88636576

IUPACbutyl 2-methylprop-2-enoate;2-methoxyethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCC.C=C(C)C(=O)OCCOC
InChIInChI=1S/C8H14O2.C7H12O3/c1-4-5-6-10-8(9)7(2)3;1-6(2)7(8)10-5-4-9-3/h2,4-6H2,1,3H3;1,4-5H2,2-3H3
InChIKeyAUKXGUSTDAZLLC-UHFFFAOYSA-N
MW286.37 g/mol
LogP2.66
Rot. Bonds8

About butyl 2-methylprop-2-enoate;2-methoxyethyl 2-methylprop-2-enoate

butyl 2-methylprop-2-enoate;2-methoxyethyl 2-methylprop-2-enoate (PubChem CID 88636576) has the molecular formula C15H26O5 and a molecular weight of 286.37 g/mol. Its IUPAC name is butyl 2-methylprop-2-enoate;2-methoxyethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Namebutyl 2-methylprop-2-enoate;2-methoxyethyl 2-methylprop-2-enoate
PubChem CID88636576
Molecular FormulaC15H26O5
Molecular Weight286.37 g/mol
Exact Mass286.18
IUPAC Namebutyl 2-methylprop-2-enoate;2-methoxyethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCC.C=C(C)C(=O)OCCOC
InChIInChI=1S/C8H14O2.C7H12O3/c1-4-5-6-10-8(9)7(2)3;1-6(2)7(8)10-5-4-9-3/h2,4-6H2,1,3H3;1,4-5H2,2-3H3
InChIKeyAUKXGUSTDAZLLC-UHFFFAOYSA-N
XLogP2.66
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 52.66
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'}

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Related Compounds

butyl 2-methylprop-2-enoate;1-methoxydodecane
CID 90869404
butyl 2-methylprop-2-enoate;methane
CID 159646333
butyl 2-methylprop-2-enoate;λ2-stannane
CID 173448670
butyl 2-methylprop-2-enoate;ethene
CID 158758814
butyl 2-methylprop-2-enoate;carbamic acid
CID 174813698
butyl 2-methylprop-2-enoate;hexyl 2-methylprop-2-enoate
CID 19882000
2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;tridecane
CID 87383190
butyl 2-methylprop-2-enoate;methyl methanesulfonate
CID 175093027
2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 22247396
octatetracontyl 2-methylprop-2-enoate
CID 141233444
7-methoxyheptyl 2-methylprop-2-enoate
CID 58788817
decyl 2-methylprop-2-enoate;dodecyl 2-methylprop-2-enoate;hexadecyl 2-methylprop-2-enoate;pentadecyl 2-methylprop-2-enoate;tetradecyl 2-methylprop-2-enoate;tridecyl 2-methylprop-2-enoate;undecyl 2-methylprop-2-enoate
CID 164995054

Frequently Asked Questions

What is the IUPAC name of butyl 2-methylprop-2-enoate;2-methoxyethyl 2-methylprop-2-enoate?
The IUPAC name of butyl 2-methylprop-2-enoate;2-methoxyethyl 2-methylprop-2-enoate (CID 88636576) is butyl 2-methylprop-2-enoate;2-methoxyethyl 2-methylprop-2-enoate.
What is the SMILES notation for butyl 2-methylprop-2-enoate;2-methoxyethyl 2-methylprop-2-enoate?
The canonical SMILES for butyl 2-methylprop-2-enoate;2-methoxyethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCCC.C=C(C)C(=O)OCCOC.
What is the InChIKey of butyl 2-methylprop-2-enoate;2-methoxyethyl 2-methylprop-2-enoate?
The InChIKey is AUKXGUSTDAZLLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2.C7H12O3/c1-4-5-6-10-8(9)7(2)3;1-6(2)7(8)10-5-4-9-3/h2,4-6H2,1,3H3;1,4-5H2,2-3H3.
What are the key properties of butyl 2-methylprop-2-enoate;2-methoxyethyl 2-methylprop-2-enoate?
butyl 2-methylprop-2-enoate;2-methoxyethyl 2-methylprop-2-enoate has a molecular weight of 286.37 g/mol, XLogP of 2.66, 8 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;2-methoxyethyl 2-methylprop-2-enoate is sourced from PubChem (CID 88636576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).