butyl 2-methylprop-2-enoate;methyl 2-hydroxyprop-2-enoate

C12H20O5 — CID 174887030

IUPACbutyl 2-methylprop-2-enoate;methyl 2-hydroxyprop-2-enoate
SMILESC=C(C)C(=O)OCCCC.C=C(O)C(=O)OC
InChIInChI=1S/C8H14O2.C4H6O3/c1-4-5-6-10-8(9)7(2)3;1-3(5)4(6)7-2/h2,4-6H2,1,3H3;5H,1H2,2H3
InChIKeyUXOOLBJQUKRRCS-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.14
Rot. Bonds5

About butyl 2-methylprop-2-enoate;methyl 2-hydroxyprop-2-enoate

butyl 2-methylprop-2-enoate;methyl 2-hydroxyprop-2-enoate (PubChem CID 174887030) has the molecular formula C12H20O5 and a molecular weight of 244.29 g/mol. Its IUPAC name is butyl 2-methylprop-2-enoate;methyl 2-hydroxyprop-2-enoate.

Molecular Properties

Compound Namebutyl 2-methylprop-2-enoate;methyl 2-hydroxyprop-2-enoate
PubChem CID174887030
Molecular FormulaC12H20O5
Molecular Weight244.29 g/mol
Exact Mass244.13
IUPAC Namebutyl 2-methylprop-2-enoate;methyl 2-hydroxyprop-2-enoate
SMILESC=C(C)C(=O)OCCCC.C=C(O)C(=O)OC
InChIInChI=1S/C8H14O2.C4H6O3/c1-4-5-6-10-8(9)7(2)3;1-3(5)4(6)7-2/h2,4-6H2,1,3H3;5H,1H2,2H3
InChIKeyUXOOLBJQUKRRCS-UHFFFAOYSA-N
XLogP2.14
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'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;carbamic acid
CID 174813698
butyl 2-methylprop-2-enoate;λ2-stannane
CID 173448670
butyl 2-methylprop-2-enoate;methane
CID 159646333
butyl 2-methylprop-2-enoate;ethene
CID 158758814
3-butoxycarbonylbut-3-enoic acid;butyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate
CID 87986759
butyl 2-methylprop-2-enoate;2-methoxyethyl 2-methylprop-2-enoate
CID 88636576
butyl 2-hydroxyprop-2-enoate
CID 18317140
butyl 2-methylprop-2-enoate;hexyl 2-methylprop-2-enoate
CID 19882000
butyl 2-methylprop-2-enoate;methyl methanesulfonate
CID 175093027
benzene;pentyl 2-methylprop-2-enoate
CID 174465726
octatetracontyl 2-methylprop-2-enoate
CID 141233444
dodecyl 2-methylprop-2-enoate;hexadecyl 2-methylprop-2-enoate;icosyl 2-methylprop-2-enoate;octadecyl 2-methylprop-2-enoate;tetradecyl 2-methylprop-2-enoate
CID 170851547

Frequently Asked Questions

What is the IUPAC name of butyl 2-methylprop-2-enoate;methyl 2-hydroxyprop-2-enoate?
The IUPAC name of butyl 2-methylprop-2-enoate;methyl 2-hydroxyprop-2-enoate (CID 174887030) is butyl 2-methylprop-2-enoate;methyl 2-hydroxyprop-2-enoate.
What is the SMILES notation for butyl 2-methylprop-2-enoate;methyl 2-hydroxyprop-2-enoate?
The canonical SMILES for butyl 2-methylprop-2-enoate;methyl 2-hydroxyprop-2-enoate is C=C(C)C(=O)OCCCC.C=C(O)C(=O)OC.
What is the InChIKey of butyl 2-methylprop-2-enoate;methyl 2-hydroxyprop-2-enoate?
The InChIKey is UXOOLBJQUKRRCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2.C4H6O3/c1-4-5-6-10-8(9)7(2)3;1-3(5)4(6)7-2/h2,4-6H2,1,3H3;5H,1H2,2H3.
What are the key properties of butyl 2-methylprop-2-enoate;methyl 2-hydroxyprop-2-enoate?
butyl 2-methylprop-2-enoate;methyl 2-hydroxyprop-2-enoate has a molecular weight of 244.29 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 2-methylprop-2-enoate;methyl 2-hydroxyprop-2-enoate is sourced from PubChem (CID 174887030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).