nonakis(methyl prop-2-enoate);(prop-2-enenitrile)

C309H327N91O18 — CID 173438975

IUPACnonakis(methyl prop-2-enoate);(prop-2-enenitrile)
SMILESC=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC(=O)OC.C=CC(=O)OC.C=CC(=O)OC.C=CC(=O)OC.C=CC(=O)OC.C=CC(=O)OC.C=CC(=O)OC.C=CC(=O)OC.C=CC(=O)OC
InChIInChI=1S/9C4H6O2.91C3H3N/c9*1-3-4(5)6-2;91*1-2-3-4/h9*3H,1H2,2H3;91*2H,1H2
InChIKeyZIZPVZOJVKUIFS-UHFFFAOYSA-N
MW5603.63 g/mol
LogP66.44
Rot. Bonds9

About nonakis(methyl prop-2-enoate);(prop-2-enenitrile)

nonakis(methyl prop-2-enoate);(prop-2-enenitrile) (PubChem CID 173438975) has the molecular formula C309H327N91O18 and a molecular weight of 5603.63 g/mol. Its IUPAC name is nonakis(methyl prop-2-enoate);(prop-2-enenitrile).

Molecular Properties

Compound Namenonakis(methyl prop-2-enoate);(prop-2-enenitrile)
PubChem CID173438975
Molecular FormulaC309H327N91O18
Molecular Weight5603.63 g/mol
Exact Mass5599.75
IUPAC Namenonakis(methyl prop-2-enoate);(prop-2-enenitrile)
SMILESC=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC(=O)OC.C=CC(=O)OC.C=CC(=O)OC.C=CC(=O)OC.C=CC(=O)OC.C=CC(=O)OC.C=CC(=O)OC.C=CC(=O)OC.C=CC(=O)OC
InChIInChI=1S/9C4H6O2.91C3H3N/c9*1-3-4(5)6-2;91*1-2-3-4/h9*3H,1H2,2H3;91*2H,1H2
InChIKeyZIZPVZOJVKUIFS-UHFFFAOYSA-N
XLogP66.44
TPSA2401.59 Ų
H-Bond Donors
H-Bond Acceptors109
Rotatable Bonds9
Heavy Atoms418
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005603.63
LogP ≤ 566.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 10109

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Related Compounds

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bis(methyl prop-2-enoate);propane
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1-cyanoethyl prop-2-enoate;methyl prop-2-enoate
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Frequently Asked Questions

What is the IUPAC name of nonakis(methyl prop-2-enoate);(prop-2-enenitrile)?
The IUPAC name of nonakis(methyl prop-2-enoate);(prop-2-enenitrile) (CID 173438975) is nonakis(methyl prop-2-enoate);(prop-2-enenitrile).
What is the SMILES notation for nonakis(methyl prop-2-enoate);(prop-2-enenitrile)?
The canonical SMILES for nonakis(methyl prop-2-enoate);(prop-2-enenitrile) is C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC#N.C=CC(=O)OC.C=CC(=O)OC.C=CC(=O)OC.C=CC(=O)OC.C=CC(=O)OC.C=CC(=O)OC.C=CC(=O)OC.C=CC(=O)OC.C=CC(=O)OC.
What is the InChIKey of nonakis(methyl prop-2-enoate);(prop-2-enenitrile)?
The InChIKey is ZIZPVZOJVKUIFS-UHFFFAOYSA-N. The full InChI is InChI=1S/9C4H6O2.91C3H3N/c9*1-3-4(5)6-2;91*1-2-3-4/h9*3H,1H2,2H3;91*2H,1H2.
What are the key properties of nonakis(methyl prop-2-enoate);(prop-2-enenitrile)?
nonakis(methyl prop-2-enoate);(prop-2-enenitrile) has a molecular weight of 5603.63 g/mol, XLogP of 66.44, 9 rotatable bonds, 0 hydrogen bond donors, and 109 hydrogen bond acceptors.
Where does this data come from?
All data for nonakis(methyl prop-2-enoate);(prop-2-enenitrile) is sourced from PubChem (CID 173438975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).