3-methoxy-2-methylprop-2-enoic acid;2-methylprop-2-enoic acid

C9H14O5 — CID 160866094

IUPAC3-methoxy-2-methylprop-2-enoic acid;2-methylprop-2-enoic acid
SMILESC=C(C)C(=O)O.COC=C(C)C(=O)O
InChIInChI=1S/C5H8O3.C4H6O2/c1-4(3-8-2)5(6)7;1-3(2)4(5)6/h3H,1-2H3,(H,6,7);1H2,2H3,(H,5,6)
InChIKeySLDFPWXZLYLPSN-UHFFFAOYSA-N
MW202.21 g/mol
LogP1.27
Rot. Bonds3

About 3-methoxy-2-methylprop-2-enoic acid;2-methylprop-2-enoic acid

3-methoxy-2-methylprop-2-enoic acid;2-methylprop-2-enoic acid (PubChem CID 160866094) has the molecular formula C9H14O5 and a molecular weight of 202.21 g/mol. Its IUPAC name is 3-methoxy-2-methylprop-2-enoic acid;2-methylprop-2-enoic acid.

Molecular Properties

Compound Name3-methoxy-2-methylprop-2-enoic acid;2-methylprop-2-enoic acid
PubChem CID160866094
Molecular FormulaC9H14O5
Molecular Weight202.21 g/mol
Exact Mass202.08
IUPAC Name3-methoxy-2-methylprop-2-enoic acid;2-methylprop-2-enoic acid
SMILESC=C(C)C(=O)O.COC=C(C)C(=O)O
InChIInChI=1S/C5H8O3.C4H6O2/c1-4(3-8-2)5(6)7;1-3(2)4(5)6/h3H,1-2H3,(H,6,7);1H2,2H3,(H,5,6)
InChIKeySLDFPWXZLYLPSN-UHFFFAOYSA-N
XLogP1.27
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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Related Compounds

methanidylidyneazanium;3-methoxy-2-methylprop-2-enoic acid
CID 87773746
methyl carbamate;2-methylprop-2-enoic acid
CID 118388900
2-methylbut-2-enoic acid;methyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid
CID 159558073
tris(2-methylprop-2-enoic acid);zirconium
CID 175448767
CID 131883821
CID 131883821
tris(2-methylprop-2-enoic acid);yttrium
CID 121233543
ethane;bis(2-methylprop-2-enoic acid)
CID 87619293
acetic acid;2-methylprop-2-enoic acid
CID 21426946
ethene;bis(2-methylprop-2-enoic acid)
CID 158500428
2-Propenoic acid,2-methyl-, aluminum salt (3:1)
CID 87069865
λ2-plumbane;2-methylprop-2-enoic acid
CID 173012443
cyclobutane;methoxymethane;bis(2-methylprop-2-enoic acid)
CID 68948425

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-methylprop-2-enoic acid;2-methylprop-2-enoic acid?
The IUPAC name of 3-methoxy-2-methylprop-2-enoic acid;2-methylprop-2-enoic acid (CID 160866094) is 3-methoxy-2-methylprop-2-enoic acid;2-methylprop-2-enoic acid.
What is the SMILES notation for 3-methoxy-2-methylprop-2-enoic acid;2-methylprop-2-enoic acid?
The canonical SMILES for 3-methoxy-2-methylprop-2-enoic acid;2-methylprop-2-enoic acid is C=C(C)C(=O)O.COC=C(C)C(=O)O.
What is the InChIKey of 3-methoxy-2-methylprop-2-enoic acid;2-methylprop-2-enoic acid?
The InChIKey is SLDFPWXZLYLPSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O3.C4H6O2/c1-4(3-8-2)5(6)7;1-3(2)4(5)6/h3H,1-2H3,(H,6,7);1H2,2H3,(H,5,6).
What are the key properties of 3-methoxy-2-methylprop-2-enoic acid;2-methylprop-2-enoic acid?
3-methoxy-2-methylprop-2-enoic acid;2-methylprop-2-enoic acid has a molecular weight of 202.21 g/mol, XLogP of 1.27, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-methylprop-2-enoic acid;2-methylprop-2-enoic acid is sourced from PubChem (CID 160866094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).