5-[2-[4-(5-prop-2-enoyloxypentoxy)phenyl]-1,3-dioxan-5-yl]pentyl prop-2-enoate

C26H36O7 — CID 20607645

IUPAC5-[2-[4-(5-prop-2-enoyloxypentoxy)phenyl]-1,3-dioxan-5-yl]pentyl prop-2-enoate
SMILESC=CC(=O)OCCCCCOc1ccc(C2OCC(CCCCCOC(=O)C=C)CO2)cc1
InChIInChI=1S/C26H36O7/c1-3-24(27)30-17-8-5-7-11-21-19-32-26(33-20-21)22-12-14-23(15-13-22)29-16-9-6-10-18-31-25(28)4-2/h3-4,12-15,21,26H,1-2,5-11,16-20H2
InChIKeyQWJHJYPXGFMUKD-UHFFFAOYSA-N
MW460.57 g/mol
LogP4.92
Rot. Bonds16

About 5-[2-[4-(5-prop-2-enoyloxypentoxy)phenyl]-1,3-dioxan-5-yl]pentyl prop-2-enoate

5-[2-[4-(5-prop-2-enoyloxypentoxy)phenyl]-1,3-dioxan-5-yl]pentyl prop-2-enoate (PubChem CID 20607645) has the molecular formula C26H36O7 and a molecular weight of 460.57 g/mol. Its IUPAC name is 5-[2-[4-(5-prop-2-enoyloxypentoxy)phenyl]-1,3-dioxan-5-yl]pentyl prop-2-enoate.

Molecular Properties

Compound Name5-[2-[4-(5-prop-2-enoyloxypentoxy)phenyl]-1,3-dioxan-5-yl]pentyl prop-2-enoate
PubChem CID20607645
Molecular FormulaC26H36O7
Molecular Weight460.57 g/mol
Exact Mass460.25
IUPAC Name5-[2-[4-(5-prop-2-enoyloxypentoxy)phenyl]-1,3-dioxan-5-yl]pentyl prop-2-enoate
SMILESC=CC(=O)OCCCCCOc1ccc(C2OCC(CCCCCOC(=O)C=C)CO2)cc1
InChIInChI=1S/C26H36O7/c1-3-24(27)30-17-8-5-7-11-21-19-32-26(33-20-21)22-12-14-23(15-13-22)29-16-9-6-10-18-31-25(28)4-2/h3-4,12-15,21,26H,1-2,5-11,16-20H2
InChIKeyQWJHJYPXGFMUKD-UHFFFAOYSA-N
XLogP4.92
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds16
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.57
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 5-[2-[4-(5-prop-2-enoyloxypentoxy)phenyl]-1,3-dioxan-5-yl]pentyl prop-2-enoate with MolForge

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Related Compounds

6-[6-[4-(6-prop-2-enoyloxyhexoxy)phenyl]oxan-3-yl]hexyl prop-2-enoate
CID 145217211
6-[4-(4-pentylcyclohexyl)phenoxy]hexyl prop-2-enoate
CID 21036152
2-(4-butoxyphenyl)-5-heptyl-1,3-dioxane
CID 12924962
6-[4-(4-prop-2-enoyloxycyclohexyl)phenoxy]hexyl prop-2-enoate
CID 58185084
5-pentyl-2-(4-propoxyphenyl)-1,3-dioxane
CID 12924949
dibutyl (4R,5R)-2-[4-[4-(6-prop-2-enoyloxyhexoxy)phenyl]phenyl]-1,3-dioxolane-4,5-dicarboxylate
CID 54496998
[(3aS,6R,6aS)-6-[4-(4-prop-2-enoyloxybutoxy)benzoyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 4-(4-prop-2-enoyloxybutoxy)benzoate
CID 59985061
[(3R,3aR,6R,6aR)-6-[4-(4-prop-2-enoyloxybutoxy)benzoyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 4-(4-prop-2-enoyloxybutoxy)benzoate
CID 66690293
4-(4-hydroxyphenoxy)butyl prop-2-enoate
CID 20566713
2-[4-[4-(6-methyloctoxy)phenyl]phenyl]-5-undec-10-enyl-1,3-dioxane
CID 19834757
6-[4-[[4-(4-propylcyclohexyl)phenyl]methyl]phenoxy]hexyl prop-2-enoate
CID 59222480
12-(4-formylphenoxy)dodecyl prop-2-enoate
CID 174341299

Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-(5-prop-2-enoyloxypentoxy)phenyl]-1,3-dioxan-5-yl]pentyl prop-2-enoate?
The IUPAC name of 5-[2-[4-(5-prop-2-enoyloxypentoxy)phenyl]-1,3-dioxan-5-yl]pentyl prop-2-enoate (CID 20607645) is 5-[2-[4-(5-prop-2-enoyloxypentoxy)phenyl]-1,3-dioxan-5-yl]pentyl prop-2-enoate.
What is the SMILES notation for 5-[2-[4-(5-prop-2-enoyloxypentoxy)phenyl]-1,3-dioxan-5-yl]pentyl prop-2-enoate?
The canonical SMILES for 5-[2-[4-(5-prop-2-enoyloxypentoxy)phenyl]-1,3-dioxan-5-yl]pentyl prop-2-enoate is C=CC(=O)OCCCCCOc1ccc(C2OCC(CCCCCOC(=O)C=C)CO2)cc1.
What is the InChIKey of 5-[2-[4-(5-prop-2-enoyloxypentoxy)phenyl]-1,3-dioxan-5-yl]pentyl prop-2-enoate?
The InChIKey is QWJHJYPXGFMUKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36O7/c1-3-24(27)30-17-8-5-7-11-21-19-32-26(33-20-21)22-12-14-23(15-13-22)29-16-9-6-10-18-31-25(28)4-2/h3-4,12-15,21,26H,1-2,5-11,16-20H2.
What are the key properties of 5-[2-[4-(5-prop-2-enoyloxypentoxy)phenyl]-1,3-dioxan-5-yl]pentyl prop-2-enoate?
5-[2-[4-(5-prop-2-enoyloxypentoxy)phenyl]-1,3-dioxan-5-yl]pentyl prop-2-enoate has a molecular weight of 460.57 g/mol, XLogP of 4.92, 16 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[4-(5-prop-2-enoyloxypentoxy)phenyl]-1,3-dioxan-5-yl]pentyl prop-2-enoate is sourced from PubChem (CID 20607645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).