formaldehyde;bis(methyl prop-2-enoate)

C9H14O5 — CID 174834920

IUPACformaldehyde;bis(methyl prop-2-enoate)
SMILESC=CC(=O)OC.C=CC(=O)OC.C=O
InChIInChI=1S/2C4H6O2.CH2O/c2*1-3-4(5)6-2;1-2/h2*3H,1H2,2H3;1H2
InChIKeyUMEJBUALJQQTSK-UHFFFAOYSA-N
MW202.21 g/mol
LogP0.51
Rot. Bonds2

About formaldehyde;bis(methyl prop-2-enoate)

formaldehyde;bis(methyl prop-2-enoate) (PubChem CID 174834920) has the molecular formula C9H14O5 and a molecular weight of 202.21 g/mol. Its IUPAC name is formaldehyde;bis(methyl prop-2-enoate).

Molecular Properties

Compound Nameformaldehyde;bis(methyl prop-2-enoate)
PubChem CID174834920
Molecular FormulaC9H14O5
Molecular Weight202.21 g/mol
Exact Mass202.08
IUPAC Nameformaldehyde;bis(methyl prop-2-enoate)
SMILESC=CC(=O)OC.C=CC(=O)OC.C=O
InChIInChI=1S/2C4H6O2.CH2O/c2*1-3-4(5)6-2;1-2/h2*3H,1H2,2H3;1H2
InChIKeyUMEJBUALJQQTSK-UHFFFAOYSA-N
XLogP0.51
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 50.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-methylmethanamine;methyl prop-2-enoate
CID 160519545
methyl prop-2-enoate;zinc;hydroiodide
CID 174920800
bis(methyl prop-2-enoate);propane
CID 160610529
dimethyltin;methyl prop-2-enoate
CID 174578648
methyl prop-2-enoate;sulfuric acid
CID 174506127
diiodolead;methyl prop-2-enoate
CID 175762695
cyclobutane;methyl prop-2-enoate;hydrate
CID 157183952
chloroform;methyl prop-2-enoate
CID 123529405
ethenoxyethene;methyl prop-2-enoate
CID 159119515
benzene;ethene;methyl prop-2-enoate
CID 174897686
methyl prop-2-enoate;phosphoric acid
CID 174689976
(Z)-but-2-enedioic acid;bis(methyl prop-2-enoate)
CID 174373219

Frequently Asked Questions

What is the IUPAC name of formaldehyde;bis(methyl prop-2-enoate)?
The IUPAC name of formaldehyde;bis(methyl prop-2-enoate) (CID 174834920) is formaldehyde;bis(methyl prop-2-enoate).
What is the SMILES notation for formaldehyde;bis(methyl prop-2-enoate)?
The canonical SMILES for formaldehyde;bis(methyl prop-2-enoate) is C=CC(=O)OC.C=CC(=O)OC.C=O.
What is the InChIKey of formaldehyde;bis(methyl prop-2-enoate)?
The InChIKey is UMEJBUALJQQTSK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H6O2.CH2O/c2*1-3-4(5)6-2;1-2/h2*3H,1H2,2H3;1H2.
What are the key properties of formaldehyde;bis(methyl prop-2-enoate)?
formaldehyde;bis(methyl prop-2-enoate) has a molecular weight of 202.21 g/mol, XLogP of 0.51, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for formaldehyde;bis(methyl prop-2-enoate) is sourced from PubChem (CID 174834920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).