2-[4-[(1E,3E,5E,7E)-8-[4-(5,5-dimethyl-1,3-dioxan-2-yl)phenyl]octa-1,3,5,7-tetraenyl]phenyl]-5,5-dimethyl-1,3-dioxane

C32H38O4 — CID 10528957

IUPAC2-[4-[(1E,3E,5E,7E)-8-[4-(5,5-dimethyl-1,3-dioxan-2-yl)phenyl]octa-1,3,5,7-tetraenyl]phenyl]-5,5-dimethyl-1,3-dioxane
SMILESCC1(C)COC(c2ccc(/C=C/C=C/C=C/C=C/c3ccc(C4OCC(C)(C)CO4)cc3)cc2)OC1
InChIInChI=1S/C32H38O4/c1-31(2)21-33-29(34-22-31)27-17-13-25(14-18-27)11-9-7-5-6-8-10-12-26-15-19-28(20-16-26)30-35-23-32(3,4)24-36-30/h5-20,29-30H,21-24H2,1-4H3/b7-5+,8-6+,11-9+,12-10+
InChIKeyBHPXSGVLWDJPLR-HCNIIHBUSA-N
MW486.65 g/mol
LogP7.67
Rot. Bonds7

About 2-[4-[(1E,3E,5E,7E)-8-[4-(5,5-dimethyl-1,3-dioxan-2-yl)phenyl]octa-1,3,5,7-tetraenyl]phenyl]-5,5-dimethyl-1,3-dioxane

2-[4-[(1E,3E,5E,7E)-8-[4-(5,5-dimethyl-1,3-dioxan-2-yl)phenyl]octa-1,3,5,7-tetraenyl]phenyl]-5,5-dimethyl-1,3-dioxane (PubChem CID 10528957) has the molecular formula C32H38O4 and a molecular weight of 486.65 g/mol. Its IUPAC name is 2-[4-[(1E,3E,5E,7E)-8-[4-(5,5-dimethyl-1,3-dioxan-2-yl)phenyl]octa-1,3,5,7-tetraenyl]phenyl]-5,5-dimethyl-1,3-dioxane.

Molecular Properties

Compound Name2-[4-[(1E,3E,5E,7E)-8-[4-(5,5-dimethyl-1,3-dioxan-2-yl)phenyl]octa-1,3,5,7-tetraenyl]phenyl]-5,5-dimethyl-1,3-dioxane
PubChem CID10528957
Molecular FormulaC32H38O4
Molecular Weight486.65 g/mol
Exact Mass486.28
IUPAC Name2-[4-[(1E,3E,5E,7E)-8-[4-(5,5-dimethyl-1,3-dioxan-2-yl)phenyl]octa-1,3,5,7-tetraenyl]phenyl]-5,5-dimethyl-1,3-dioxane
SMILESCC1(C)COC(c2ccc(/C=C/C=C/C=C/C=C/c3ccc(C4OCC(C)(C)CO4)cc3)cc2)OC1
InChIInChI=1S/C32H38O4/c1-31(2)21-33-29(34-22-31)27-17-13-25(14-18-27)11-9-7-5-6-8-10-12-26-15-19-28(20-16-26)30-35-23-32(3,4)24-36-30/h5-20,29-30H,21-24H2,1-4H3/b7-5+,8-6+,11-9+,12-10+
InChIKeyBHPXSGVLWDJPLR-HCNIIHBUSA-N
XLogP7.67
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.65
LogP ≤ 57.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[4-[(1E,3E,5E,7E)-8-[4-(5,5-dimethyl-1,3-dioxan-2-yl)phenyl]octa-1,3,5,7-tetraenyl]phenyl]-5,5-dimethyl-1,3-dioxane with MolForge

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Related Compounds

1-(4-Ethynylphenyl)-4-propyl-2,6,7-trioxabicyclo(2.2.2)octane
CID 115223
4-(1,1-Dimethylethyl)-1-phenyl-2,6,7-trioxabicyclo(2.2.2)octane
CID 155394
1,1-Dibenzyloxy-2-phenylethane
CID 95980
3,9-Diphenyl-2,4,8,10-tetraoxaspiro[5.5]undecane
CID 241146
2,4,6-Triphenyl-1,3-dioxane
CID 568919
2,5-Dimethoxy-2,5-diphenyl-1,4-dioxane
CID 5059104
1,4-DI-O-Benzylidene-5-deoxy-DL-ribitol
CID 298285
1,3-Dioxane, 5,5-dimethyl-2-phenyl-
CID 69895
2,6,7-Trioxabicyclo(2.2.2)octane, 4-(1,1-dimethylethyl)-1-(4-ethynylphenyl)-
CID 176088
Orthobenzoic acid, cyclic ester with 2-(hydroxymethyl)-2-methyl-1,3-propanediol
CID 3053999
1,3-Dioxane, 4,4-dimethyl-2,6-diphenyl-
CID 53425980
5,5-Diethyl-2-phenyl-1,3-dioxane
CID 232219

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1E,3E,5E,7E)-8-[4-(5,5-dimethyl-1,3-dioxan-2-yl)phenyl]octa-1,3,5,7-tetraenyl]phenyl]-5,5-dimethyl-1,3-dioxane?
The IUPAC name of 2-[4-[(1E,3E,5E,7E)-8-[4-(5,5-dimethyl-1,3-dioxan-2-yl)phenyl]octa-1,3,5,7-tetraenyl]phenyl]-5,5-dimethyl-1,3-dioxane (CID 10528957) is 2-[4-[(1E,3E,5E,7E)-8-[4-(5,5-dimethyl-1,3-dioxan-2-yl)phenyl]octa-1,3,5,7-tetraenyl]phenyl]-5,5-dimethyl-1,3-dioxane.
What is the SMILES notation for 2-[4-[(1E,3E,5E,7E)-8-[4-(5,5-dimethyl-1,3-dioxan-2-yl)phenyl]octa-1,3,5,7-tetraenyl]phenyl]-5,5-dimethyl-1,3-dioxane?
The canonical SMILES for 2-[4-[(1E,3E,5E,7E)-8-[4-(5,5-dimethyl-1,3-dioxan-2-yl)phenyl]octa-1,3,5,7-tetraenyl]phenyl]-5,5-dimethyl-1,3-dioxane is CC1(C)COC(c2ccc(/C=C/C=C/C=C/C=C/c3ccc(C4OCC(C)(C)CO4)cc3)cc2)OC1.
What is the InChIKey of 2-[4-[(1E,3E,5E,7E)-8-[4-(5,5-dimethyl-1,3-dioxan-2-yl)phenyl]octa-1,3,5,7-tetraenyl]phenyl]-5,5-dimethyl-1,3-dioxane?
The InChIKey is BHPXSGVLWDJPLR-HCNIIHBUSA-N. The full InChI is InChI=1S/C32H38O4/c1-31(2)21-33-29(34-22-31)27-17-13-25(14-18-27)11-9-7-5-6-8-10-12-26-15-19-28(20-16-26)30-35-23-32(3,4)24-36-30/h5-20,29-30H,21-24H2,1-4H3/b7-5+,8-6+,11-9+,12-10+.
What are the key properties of 2-[4-[(1E,3E,5E,7E)-8-[4-(5,5-dimethyl-1,3-dioxan-2-yl)phenyl]octa-1,3,5,7-tetraenyl]phenyl]-5,5-dimethyl-1,3-dioxane?
2-[4-[(1E,3E,5E,7E)-8-[4-(5,5-dimethyl-1,3-dioxan-2-yl)phenyl]octa-1,3,5,7-tetraenyl]phenyl]-5,5-dimethyl-1,3-dioxane has a molecular weight of 486.65 g/mol, XLogP of 7.67, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1E,3E,5E,7E)-8-[4-(5,5-dimethyl-1,3-dioxan-2-yl)phenyl]octa-1,3,5,7-tetraenyl]phenyl]-5,5-dimethyl-1,3-dioxane is sourced from PubChem (CID 10528957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).