[5,5-di(prop-2-enoyl)-9-prop-2-enoyloxynonyl] prop-2-enoate

C21H28O6 — CID 159187319

IUPAC[5,5-di(prop-2-enoyl)-9-prop-2-enoyloxynonyl] prop-2-enoate
SMILESC=CC(=O)OCCCCC(CCCCOC(=O)C=C)(C(=O)C=C)C(=O)C=C
InChIInChI=1S/C21H28O6/c1-5-17(22)21(18(23)6-2,13-9-11-15-26-19(24)7-3)14-10-12-16-27-20(25)8-4/h5-8H,1-4,9-16H2
InChIKeyDWVNRHUZCWBBNO-UHFFFAOYSA-N
MW376.45 g/mol
LogP3.28
Rot. Bonds16

About [5,5-di(prop-2-enoyl)-9-prop-2-enoyloxynonyl] prop-2-enoate

[5,5-di(prop-2-enoyl)-9-prop-2-enoyloxynonyl] prop-2-enoate (PubChem CID 159187319) has the molecular formula C21H28O6 and a molecular weight of 376.45 g/mol. Its IUPAC name is [5,5-di(prop-2-enoyl)-9-prop-2-enoyloxynonyl] prop-2-enoate.

Molecular Properties

Compound Name[5,5-di(prop-2-enoyl)-9-prop-2-enoyloxynonyl] prop-2-enoate
PubChem CID159187319
Molecular FormulaC21H28O6
Molecular Weight376.45 g/mol
Exact Mass376.19
IUPAC Name[5,5-di(prop-2-enoyl)-9-prop-2-enoyloxynonyl] prop-2-enoate
SMILESC=CC(=O)OCCCCC(CCCCOC(=O)C=C)(C(=O)C=C)C(=O)C=C
InChIInChI=1S/C21H28O6/c1-5-17(22)21(18(23)6-2,13-9-11-15-26-19(24)7-3)14-10-12-16-27-20(25)8-4/h5-8H,1-4,9-16H2
InChIKeyDWVNRHUZCWBBNO-UHFFFAOYSA-N
XLogP3.28
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.45
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

8-prop-2-enoyloxyoctyl prop-2-enoate
CID 12934232
4-prop-2-enoyloxybutyl prop-2-enoate;6-prop-2-enoyloxyhexyl prop-2-enoate
CID 158256375
azane;3-prop-2-enoyloxypropyl prop-2-enoate
CID 162679005
calcium;hydride;4-hydroxybutyl prop-2-enoate
CID 175269190
10-hydroxydecyl prop-2-enoate
CID 14715958
4-[1,2,2-tris(4-prop-2-enoyloxybutoxy)ethoxy]butyl prop-2-enoate
CID 134465338
3-[tris(3-prop-2-enoyloxypropyl)silyl]propyl prop-2-enoate
CID 140784915
11-hydroxyundecyl prop-2-enoate
CID 54223498
4-methoxybutyl prop-2-enoate
CID 22321356
19-hydroxynonadecyl prop-2-enoate
CID 20625688
12-hydroxydodecyl prop-2-enoate
CID 19859974
5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluorodecyl prop-2-enoate
CID 52991911

Frequently Asked Questions

What is the IUPAC name of [5,5-di(prop-2-enoyl)-9-prop-2-enoyloxynonyl] prop-2-enoate?
The IUPAC name of [5,5-di(prop-2-enoyl)-9-prop-2-enoyloxynonyl] prop-2-enoate (CID 159187319) is [5,5-di(prop-2-enoyl)-9-prop-2-enoyloxynonyl] prop-2-enoate.
What is the SMILES notation for [5,5-di(prop-2-enoyl)-9-prop-2-enoyloxynonyl] prop-2-enoate?
The canonical SMILES for [5,5-di(prop-2-enoyl)-9-prop-2-enoyloxynonyl] prop-2-enoate is C=CC(=O)OCCCCC(CCCCOC(=O)C=C)(C(=O)C=C)C(=O)C=C.
What is the InChIKey of [5,5-di(prop-2-enoyl)-9-prop-2-enoyloxynonyl] prop-2-enoate?
The InChIKey is DWVNRHUZCWBBNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28O6/c1-5-17(22)21(18(23)6-2,13-9-11-15-26-19(24)7-3)14-10-12-16-27-20(25)8-4/h5-8H,1-4,9-16H2.
What are the key properties of [5,5-di(prop-2-enoyl)-9-prop-2-enoyloxynonyl] prop-2-enoate?
[5,5-di(prop-2-enoyl)-9-prop-2-enoyloxynonyl] prop-2-enoate has a molecular weight of 376.45 g/mol, XLogP of 3.28, 16 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5,5-di(prop-2-enoyl)-9-prop-2-enoyloxynonyl] prop-2-enoate is sourced from PubChem (CID 159187319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).