1-methoxyethyl 2-methylprop-2-enoate;bis(prop-2-enoic acid)

C13H20O7 — CID 174970687

IUPAC1-methoxyethyl 2-methylprop-2-enoate;bis(prop-2-enoic acid)
SMILESC=C(C)C(=O)OC(C)OC.C=CC(=O)O.C=CC(=O)O
InChIInChI=1S/C7H12O3.2C3H4O2/c1-5(2)7(8)10-6(3)9-4;2*1-2-3(4)5/h6H,1H2,2-4H3;2*2H,1H2,(H,4,5)
InChIKeyZZAKXVLLUYOYAS-UHFFFAOYSA-N
MW288.30 g/mol
LogP1.61
Rot. Bonds5

About 1-methoxyethyl 2-methylprop-2-enoate;bis(prop-2-enoic acid)

1-methoxyethyl 2-methylprop-2-enoate;bis(prop-2-enoic acid) (PubChem CID 174970687) has the molecular formula C13H20O7 and a molecular weight of 288.30 g/mol. Its IUPAC name is 1-methoxyethyl 2-methylprop-2-enoate;bis(prop-2-enoic acid).

Molecular Properties

Compound Name1-methoxyethyl 2-methylprop-2-enoate;bis(prop-2-enoic acid)
PubChem CID174970687
Molecular FormulaC13H20O7
Molecular Weight288.30 g/mol
Exact Mass288.12
IUPAC Name1-methoxyethyl 2-methylprop-2-enoate;bis(prop-2-enoic acid)
SMILESC=C(C)C(=O)OC(C)OC.C=CC(=O)O.C=CC(=O)O
InChIInChI=1S/C7H12O3.2C3H4O2/c1-5(2)7(8)10-6(3)9-4;2*1-2-3(4)5/h6H,1H2,2-4H3;2*2H,1H2,(H,4,5)
InChIKeyZZAKXVLLUYOYAS-UHFFFAOYSA-N
XLogP1.61
TPSA110.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

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CID 174883570
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CID 91001649
buta-1,3-diene;methyl 2-methylprop-2-enoate;prop-2-enoic acid
CID 121332885
1-acetyloxyethyl 2-methylprop-2-enoate
CID 18517368
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CID 175587057
propan-2-yl 2-methylprop-2-enoate
CID 146421311
benzene;propan-2-yl 2-methylprop-2-enoate
CID 174524984
dimethoxymethyl 2-methylprop-2-enoate
CID 23110377
methoxymethane;prop-2-enoic acid
CID 22665045
1-[(2-methylpropan-2-yl)oxy]ethyl 2-methylprop-2-enoate
CID 22051873
1-(2-methylprop-2-enoyloxy)ethyl but-2-enoate
CID 173400140
2-methylprop-1-ene;2-methylprop-2-enoic acid;prop-1-ene;prop-2-enoic acid
CID 162195098

Frequently Asked Questions

What is the IUPAC name of 1-methoxyethyl 2-methylprop-2-enoate;bis(prop-2-enoic acid)?
The IUPAC name of 1-methoxyethyl 2-methylprop-2-enoate;bis(prop-2-enoic acid) (CID 174970687) is 1-methoxyethyl 2-methylprop-2-enoate;bis(prop-2-enoic acid).
What is the SMILES notation for 1-methoxyethyl 2-methylprop-2-enoate;bis(prop-2-enoic acid)?
The canonical SMILES for 1-methoxyethyl 2-methylprop-2-enoate;bis(prop-2-enoic acid) is C=C(C)C(=O)OC(C)OC.C=CC(=O)O.C=CC(=O)O.
What is the InChIKey of 1-methoxyethyl 2-methylprop-2-enoate;bis(prop-2-enoic acid)?
The InChIKey is ZZAKXVLLUYOYAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O3.2C3H4O2/c1-5(2)7(8)10-6(3)9-4;2*1-2-3(4)5/h6H,1H2,2-4H3;2*2H,1H2,(H,4,5).
What are the key properties of 1-methoxyethyl 2-methylprop-2-enoate;bis(prop-2-enoic acid)?
1-methoxyethyl 2-methylprop-2-enoate;bis(prop-2-enoic acid) has a molecular weight of 288.30 g/mol, XLogP of 1.61, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxyethyl 2-methylprop-2-enoate;bis(prop-2-enoic acid) is sourced from PubChem (CID 174970687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).