bis(methyl prop-2-enoate);propane

C11H20O4 — CID 160610529

IUPACbis(methyl prop-2-enoate);propane
SMILESC=CC(=O)OC.C=CC(=O)OC.CCC
InChIInChI=1S/2C4H6O2.C3H8/c2*1-3-4(5)6-2;1-3-2/h2*3H,1H2,2H3;3H2,1-2H3
InChIKeyRFLNFDQAPOOMPO-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.11
Rot. Bonds2

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

bis(methyl prop-2-enoate);propane (PubChem CID 160610529) has the molecular formula C11H20O4 and a molecular weight of 216.28 g/mol. Its IUPAC name is bis(methyl prop-2-enoate);propane.

Molecular Properties

Compound Namebis(methyl prop-2-enoate);propane
PubChem CID160610529
Molecular FormulaC11H20O4
Molecular Weight216.28 g/mol
Exact Mass216.14
IUPAC Namebis(methyl prop-2-enoate);propane
SMILESC=CC(=O)OC.C=CC(=O)OC.CCC
InChIInChI=1S/2C4H6O2.C3H8/c2*1-3-4(5)6-2;1-3-2/h2*3H,1H2,2H3;3H2,1-2H3
InChIKeyRFLNFDQAPOOMPO-UHFFFAOYSA-N
XLogP2.11
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 174834920
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CID 160519545
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CID 174920800
ethyl(dimethyl)stannane;methyl prop-2-enoate
CID 174264284
dimethoxymethane;methyl prop-2-enoate
CID 162245850
dimethyltin;methyl prop-2-enoate
CID 174578648
3-chloroprop-1-ene;methyl prop-2-enoate
CID 19001181
methyl prop-2-enoate;sulfuric acid
CID 174506127
diiodolead;methyl prop-2-enoate
CID 175762695
benzene;ethene;methyl prop-2-enoate
CID 174897686
methyl prop-2-enoate;phosphoric acid
CID 174689976
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CID 159119515

Frequently Asked Questions

What is the IUPAC name of bis(methyl prop-2-enoate);propane?
The IUPAC name of bis(methyl prop-2-enoate);propane (CID 160610529) is bis(methyl prop-2-enoate);propane.
What is the SMILES notation for bis(methyl prop-2-enoate);propane?
The canonical SMILES for bis(methyl prop-2-enoate);propane is C=CC(=O)OC.C=CC(=O)OC.CCC.
What is the InChIKey of bis(methyl prop-2-enoate);propane?
The InChIKey is RFLNFDQAPOOMPO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H6O2.C3H8/c2*1-3-4(5)6-2;1-3-2/h2*3H,1H2,2H3;3H2,1-2H3.
What are the key properties of bis(methyl prop-2-enoate);propane?
bis(methyl prop-2-enoate);propane has a molecular weight of 216.28 g/mol, XLogP of 2.11, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(methyl prop-2-enoate);propane is sourced from PubChem (CID 160610529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).