butyl prop-2-enoate;ethenyl acetate;2-methylprop-2-enoic acid

C15H24O6 — CID 159202277

IUPACbutyl prop-2-enoate;ethenyl acetate;2-methylprop-2-enoic acid
SMILESC=C(C)C(=O)O.C=CC(=O)OCCCC.C=COC(C)=O
InChIInChI=1S/C7H12O2.2C4H6O2/c1-3-5-6-9-7(8)4-2;1-3-6-4(2)5;1-3(2)4(5)6/h4H,2-3,5-6H2,1H3;3H,1H2,2H3;1H2,2H3,(H,5,6)
InChIKeyKPLBOFTUTPFCAW-UHFFFAOYSA-N
MW300.35 g/mol
LogP2.86
Rot. Bonds6

About butyl prop-2-enoate;ethenyl acetate;2-methylprop-2-enoic acid

butyl prop-2-enoate;ethenyl acetate;2-methylprop-2-enoic acid (PubChem CID 159202277) has the molecular formula C15H24O6 and a molecular weight of 300.35 g/mol. Its IUPAC name is butyl prop-2-enoate;ethenyl acetate;2-methylprop-2-enoic acid.

Molecular Properties

Compound Namebutyl prop-2-enoate;ethenyl acetate;2-methylprop-2-enoic acid
PubChem CID159202277
Molecular FormulaC15H24O6
Molecular Weight300.35 g/mol
Exact Mass300.16
IUPAC Namebutyl prop-2-enoate;ethenyl acetate;2-methylprop-2-enoic acid
SMILESC=C(C)C(=O)O.C=CC(=O)OCCCC.C=COC(C)=O
InChIInChI=1S/C7H12O2.2C4H6O2/c1-3-5-6-9-7(8)4-2;1-3-6-4(2)5;1-3(2)4(5)6/h4H,2-3,5-6H2,1H3;3H,1H2,2H3;1H2,2H3,(H,5,6)
InChIKeyKPLBOFTUTPFCAW-UHFFFAOYSA-N
XLogP2.86
TPSA89.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 52.86
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 prop-2-enoate;ethenyl acetate
CID 23373234
butyl prop-2-enoate;ethenyl acetate;2-hydroxyethyl prop-2-enoate
CID 158722380
ethenyl acetate;octyl prop-2-enoate
CID 22497770
butyl 2-methylprop-2-enoate;butyl prop-2-enoate;2-methylprop-2-enoic acid;prop-2-enoic acid
CID 161441199
4-butoxy-4-oxobut-2-enoic acid;ethenyl acetate
CID 173368296
acetic acid;butyl prop-2-enoate;prop-2-enoic acid
CID 159700661
butyl prop-2-enoate;ethenyl acetate;hexyl 2-methylidenebutanoate;prop-2-enyl prop-2-enoate
CID 173347288
butyl prop-2-enoate;ethyl prop-2-enoate;2-hydroxyprop-2-enoic acid
CID 87530840
butan-2-one;butyl prop-2-enoate
CID 88737685
4-butoxycarbonylpenta-2,4-dienoic acid;ethenyl acetate
CID 87783629
4-decoxy-4-oxobut-2-enoic acid;ethenyl acetate
CID 162224725
ethenyl acetate;hexadecyl 2-methylprop-2-enoate
CID 174850858

Frequently Asked Questions

What is the IUPAC name of butyl prop-2-enoate;ethenyl acetate;2-methylprop-2-enoic acid?
The IUPAC name of butyl prop-2-enoate;ethenyl acetate;2-methylprop-2-enoic acid (CID 159202277) is butyl prop-2-enoate;ethenyl acetate;2-methylprop-2-enoic acid.
What is the SMILES notation for butyl prop-2-enoate;ethenyl acetate;2-methylprop-2-enoic acid?
The canonical SMILES for butyl prop-2-enoate;ethenyl acetate;2-methylprop-2-enoic acid is C=C(C)C(=O)O.C=CC(=O)OCCCC.C=COC(C)=O.
What is the InChIKey of butyl prop-2-enoate;ethenyl acetate;2-methylprop-2-enoic acid?
The InChIKey is KPLBOFTUTPFCAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O2.2C4H6O2/c1-3-5-6-9-7(8)4-2;1-3-6-4(2)5;1-3(2)4(5)6/h4H,2-3,5-6H2,1H3;3H,1H2,2H3;1H2,2H3,(H,5,6).
What are the key properties of butyl prop-2-enoate;ethenyl acetate;2-methylprop-2-enoic acid?
butyl prop-2-enoate;ethenyl acetate;2-methylprop-2-enoic acid has a molecular weight of 300.35 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for butyl prop-2-enoate;ethenyl acetate;2-methylprop-2-enoic acid is sourced from PubChem (CID 159202277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).