ethenyl acetate;5-hydroxy-2-methylpent-2-enoic acid;bis(prop-2-enamide);styrene

C24H34N2O7 — CID 67729044

IUPACethenyl acetate;5-hydroxy-2-methylpent-2-enoic acid;bis(prop-2-enamide);styrene
SMILESC=CC(N)=O.C=CC(N)=O.C=COC(C)=O.C=Cc1ccccc1.CC(=CCCO)C(=O)O
InChIInChI=1S/C8H8.C6H10O3.C4H6O2.2C3H5NO/c1-2-8-6-4-3-5-7-8;1-5(6(8)9)3-2-4-7;1-3-6-4(2)5;2*1-2-3(4)5/h2-7H,1H2;3,7H,2,4H2,1H3,(H,8,9);3H,1H2,2H3;2*2H,1H2,(H2,4,5)
InChIKeyKZLPTLVNDULUTD-UHFFFAOYSA-N
MW462.54 g/mol
LogP2.74
Rot. Bonds7

About ethenyl acetate;5-hydroxy-2-methylpent-2-enoic acid;bis(prop-2-enamide);styrene

ethenyl acetate;5-hydroxy-2-methylpent-2-enoic acid;bis(prop-2-enamide);styrene (PubChem CID 67729044) has the molecular formula C24H34N2O7 and a molecular weight of 462.54 g/mol. Its IUPAC name is ethenyl acetate;5-hydroxy-2-methylpent-2-enoic acid;bis(prop-2-enamide);styrene.

Molecular Properties

Compound Nameethenyl acetate;5-hydroxy-2-methylpent-2-enoic acid;bis(prop-2-enamide);styrene
PubChem CID67729044
Molecular FormulaC24H34N2O7
Molecular Weight462.54 g/mol
Exact Mass462.24
IUPAC Nameethenyl acetate;5-hydroxy-2-methylpent-2-enoic acid;bis(prop-2-enamide);styrene
SMILESC=CC(N)=O.C=CC(N)=O.C=COC(C)=O.C=Cc1ccccc1.CC(=CCCO)C(=O)O
InChIInChI=1S/C8H8.C6H10O3.C4H6O2.2C3H5NO/c1-2-8-6-4-3-5-7-8;1-5(6(8)9)3-2-4-7;1-3-6-4(2)5;2*1-2-3(4)5/h2-7H,1H2;3,7H,2,4H2,1H3,(H,8,9);3H,1H2,2H3;2*2H,1H2,(H2,4,5)
InChIKeyKZLPTLVNDULUTD-UHFFFAOYSA-N
XLogP2.74
TPSA170.01 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.54
LogP ≤ 52.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethenyl acetate;5-hydroxy-2-methylpent-2-enoic acid;bis(prop-2-enamide);styrene?
The IUPAC name of ethenyl acetate;5-hydroxy-2-methylpent-2-enoic acid;bis(prop-2-enamide);styrene (CID 67729044) is ethenyl acetate;5-hydroxy-2-methylpent-2-enoic acid;bis(prop-2-enamide);styrene.
What is the SMILES notation for ethenyl acetate;5-hydroxy-2-methylpent-2-enoic acid;bis(prop-2-enamide);styrene?
The canonical SMILES for ethenyl acetate;5-hydroxy-2-methylpent-2-enoic acid;bis(prop-2-enamide);styrene is C=CC(N)=O.C=CC(N)=O.C=COC(C)=O.C=Cc1ccccc1.CC(=CCCO)C(=O)O.
What is the InChIKey of ethenyl acetate;5-hydroxy-2-methylpent-2-enoic acid;bis(prop-2-enamide);styrene?
The InChIKey is KZLPTLVNDULUTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8.C6H10O3.C4H6O2.2C3H5NO/c1-2-8-6-4-3-5-7-8;1-5(6(8)9)3-2-4-7;1-3-6-4(2)5;2*1-2-3(4)5/h2-7H,1H2;3,7H,2,4H2,1H3,(H,8,9);3H,1H2,2H3;2*2H,1H2,(H2,4,5).
What are the key properties of ethenyl acetate;5-hydroxy-2-methylpent-2-enoic acid;bis(prop-2-enamide);styrene?
ethenyl acetate;5-hydroxy-2-methylpent-2-enoic acid;bis(prop-2-enamide);styrene has a molecular weight of 462.54 g/mol, XLogP of 2.74, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl acetate;5-hydroxy-2-methylpent-2-enoic acid;bis(prop-2-enamide);styrene is sourced from PubChem (CID 67729044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).