(4R,5R)-2-[(1E,3E)-hexa-1,3-dienyl]-4,5-diphenyl-1,3-dioxolane

C21H22O2 — CID 134889866

IUPAC(4R,5R)-2-[(1E,3E)-hexa-1,3-dienyl]-4,5-diphenyl-1,3-dioxolane
SMILESCC/C=C/C=C/C1O[C@H](c2ccccc2)[C@@H](c2ccccc2)O1
InChIInChI=1S/C21H22O2/c1-2-3-4-11-16-19-22-20(17-12-7-5-8-13-17)21(23-19)18-14-9-6-10-15-18/h3-16,19-21H,2H2,1H3/b4-3+,16-11+/t20-,21-/m1/s1
InChIKeyGCMIKFQGOWSHAP-DZWHEKINSA-N
MW306.41 g/mol
LogP5.36
Rot. Bonds5

About (4R,5R)-2-[(1E,3E)-hexa-1,3-dienyl]-4,5-diphenyl-1,3-dioxolane

(4R,5R)-2-[(1E,3E)-hexa-1,3-dienyl]-4,5-diphenyl-1,3-dioxolane (PubChem CID 134889866) has the molecular formula C21H22O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is (4R,5R)-2-[(1E,3E)-hexa-1,3-dienyl]-4,5-diphenyl-1,3-dioxolane.

Molecular Properties

Compound Name(4R,5R)-2-[(1E,3E)-hexa-1,3-dienyl]-4,5-diphenyl-1,3-dioxolane
PubChem CID134889866
Molecular FormulaC21H22O2
Molecular Weight306.41 g/mol
Exact Mass306.16
IUPAC Name(4R,5R)-2-[(1E,3E)-hexa-1,3-dienyl]-4,5-diphenyl-1,3-dioxolane
SMILESCC/C=C/C=C/C1O[C@H](c2ccccc2)[C@@H](c2ccccc2)O1
InChIInChI=1S/C21H22O2/c1-2-3-4-11-16-19-22-20(17-12-7-5-8-13-17)21(23-19)18-14-9-6-10-15-18/h3-16,19-21H,2H2,1H3/b4-3+,16-11+/t20-,21-/m1/s1
InChIKeyGCMIKFQGOWSHAP-DZWHEKINSA-N
XLogP5.36
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.41
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Phenylacetaldehyde 2,3-butylene glycol acetal
CID 230525
Benzaldehyde propylene glycol acetal
CID 595928
(Diethoxymethyl)benzene
CID 69884
1-Benzyloxy-1-(2-methoxyethoxy)ethane
CID 22235151
2-Phenylpropanal propylene glycol acetal
CID 236687
4-Phenyl-1,3-dioxane
CID 92840
1,3-Dioxolane-4-methanol, 2-phenyl-
CID 15572
Bis(1-phenylethyl) ether
CID 62342
1,3-Dioxane, 2,4,6-trimethyl-4-phenyl-
CID 107381
2,2-Diphenyltetrahydrofuran
CID 70175
2-Phenyl-1,3-dioxolane
CID 70293
2,5,5-Trimethyl-2-phenyl-1,3-dioxane
CID 79409

Frequently Asked Questions

What is the IUPAC name of (4R,5R)-2-[(1E,3E)-hexa-1,3-dienyl]-4,5-diphenyl-1,3-dioxolane?
The IUPAC name of (4R,5R)-2-[(1E,3E)-hexa-1,3-dienyl]-4,5-diphenyl-1,3-dioxolane (CID 134889866) is (4R,5R)-2-[(1E,3E)-hexa-1,3-dienyl]-4,5-diphenyl-1,3-dioxolane.
What is the SMILES notation for (4R,5R)-2-[(1E,3E)-hexa-1,3-dienyl]-4,5-diphenyl-1,3-dioxolane?
The canonical SMILES for (4R,5R)-2-[(1E,3E)-hexa-1,3-dienyl]-4,5-diphenyl-1,3-dioxolane is CC/C=C/C=C/C1O[C@H](c2ccccc2)[C@@H](c2ccccc2)O1.
What is the InChIKey of (4R,5R)-2-[(1E,3E)-hexa-1,3-dienyl]-4,5-diphenyl-1,3-dioxolane?
The InChIKey is GCMIKFQGOWSHAP-DZWHEKINSA-N. The full InChI is InChI=1S/C21H22O2/c1-2-3-4-11-16-19-22-20(17-12-7-5-8-13-17)21(23-19)18-14-9-6-10-15-18/h3-16,19-21H,2H2,1H3/b4-3+,16-11+/t20-,21-/m1/s1.
What are the key properties of (4R,5R)-2-[(1E,3E)-hexa-1,3-dienyl]-4,5-diphenyl-1,3-dioxolane?
(4R,5R)-2-[(1E,3E)-hexa-1,3-dienyl]-4,5-diphenyl-1,3-dioxolane has a molecular weight of 306.41 g/mol, XLogP of 5.36, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-2-[(1E,3E)-hexa-1,3-dienyl]-4,5-diphenyl-1,3-dioxolane is sourced from PubChem (CID 134889866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).