4,5-di(prop-2-enoyloxy)pentyl prop-2-enoate

C14H18O6 — CID 58231919

IUPAC4,5-di(prop-2-enoyloxy)pentyl prop-2-enoate
SMILESC=CC(=O)OCCCC(COC(=O)C=C)OC(=O)C=C
InChIInChI=1S/C14H18O6/c1-4-12(15)18-9-7-8-11(20-14(17)6-3)10-19-13(16)5-2/h4-6,11H,1-3,7-10H2
InChIKeyMNMTVYRFAAFVNT-UHFFFAOYSA-N
MW282.29 g/mol
LogP1.32
Rot. Bonds10

About 4,5-di(prop-2-enoyloxy)pentyl prop-2-enoate

4,5-di(prop-2-enoyloxy)pentyl prop-2-enoate (PubChem CID 58231919) has the molecular formula C14H18O6 and a molecular weight of 282.29 g/mol. Its IUPAC name is 4,5-di(prop-2-enoyloxy)pentyl prop-2-enoate.

Molecular Properties

Compound Name4,5-di(prop-2-enoyloxy)pentyl prop-2-enoate
PubChem CID58231919
Molecular FormulaC14H18O6
Molecular Weight282.29 g/mol
Exact Mass282.11
IUPAC Name4,5-di(prop-2-enoyloxy)pentyl prop-2-enoate
SMILESC=CC(=O)OCCCC(COC(=O)C=C)OC(=O)C=C
InChIInChI=1S/C14H18O6/c1-4-12(15)18-9-7-8-11(20-14(17)6-3)10-19-13(16)5-2/h4-6,11H,1-3,7-10H2
InChIKeyMNMTVYRFAAFVNT-UHFFFAOYSA-N
XLogP1.32
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.29
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

5,6-di(prop-2-enoyloxy)hexyl prop-2-enoate;7,8-di(prop-2-enoyloxy)octyl prop-2-enoate;4,5-di(prop-2-enoyloxy)pentyl prop-2-enoate;2,3-di(prop-2-enoyloxy)propyl prop-2-enoate;methane;[8-prop-2-enoyloxy-7-(prop-2-enoyloxymethyl)octyl] prop-2-enoate;[5-prop-2-enoyloxy-4-(prop-2-enoyloxymethyl)pentyl] prop-2-enoate;[3-prop-2-enoyloxy-2-(prop-2-enoyloxymethyl)propyl] prop-2-enoate
CID 157055380
2-prop-2-enoyloxyheptyl prop-2-enoate
CID 123616440
(2-prop-2-enoyloxy-6-sulfanylidenehexyl) prop-2-enoate
CID 18431296
(4-hydroxy-5-prop-2-enoyloxypentyl) prop-2-enoate
CID 19429008
6-prop-2-enoyloxydodecyl prop-2-enoate
CID 151920559
4-methylhexyl prop-2-enoate
CID 58980362
[9-(methanesulfonamido)-9-oxo-2-prop-2-enoyloxynonyl] prop-2-enoate
CID 146374436
8-prop-2-enoyloxyoctyl prop-2-enoate
CID 12934232
azane;3-prop-2-enoyloxypropyl prop-2-enoate
CID 162679005
4-prop-2-enoyloxybutyl prop-2-enoate;6-prop-2-enoyloxyhexyl prop-2-enoate
CID 158256375
(4,4,5-trifluoro-2-prop-2-enoyloxypentyl) prop-2-enoate
CID 89335761
[2-prop-2-enoyloxy-4-(2,2,2-trifluoroethylamino)butyl] prop-2-enoate
CID 146374385

Frequently Asked Questions

What is the IUPAC name of 4,5-di(prop-2-enoyloxy)pentyl prop-2-enoate?
The IUPAC name of 4,5-di(prop-2-enoyloxy)pentyl prop-2-enoate (CID 58231919) is 4,5-di(prop-2-enoyloxy)pentyl prop-2-enoate.
What is the SMILES notation for 4,5-di(prop-2-enoyloxy)pentyl prop-2-enoate?
The canonical SMILES for 4,5-di(prop-2-enoyloxy)pentyl prop-2-enoate is C=CC(=O)OCCCC(COC(=O)C=C)OC(=O)C=C.
What is the InChIKey of 4,5-di(prop-2-enoyloxy)pentyl prop-2-enoate?
The InChIKey is MNMTVYRFAAFVNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O6/c1-4-12(15)18-9-7-8-11(20-14(17)6-3)10-19-13(16)5-2/h4-6,11H,1-3,7-10H2.
What are the key properties of 4,5-di(prop-2-enoyloxy)pentyl prop-2-enoate?
4,5-di(prop-2-enoyloxy)pentyl prop-2-enoate has a molecular weight of 282.29 g/mol, XLogP of 1.32, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-di(prop-2-enoyloxy)pentyl prop-2-enoate is sourced from PubChem (CID 58231919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).