2-[(1E,3E,5E,7E)-2,6-dimethyl-8-(2,6,6-trimethylcyclohexen-1-yl)octa-1,3,5,7-tetraenyl]-5,5-dimethyl-1,3-dioxane

C25H38O2 — CID 11810786

IUPAC2-[(1E,3E,5E,7E)-2,6-dimethyl-8-(2,6,6-trimethylcyclohexen-1-yl)octa-1,3,5,7-tetraenyl]-5,5-dimethyl-1,3-dioxane
SMILESCC1=C(/C=C/C(C)=C/C=C/C(C)=C/C2OCC(C)(C)CO2)C(C)(C)CCC1
InChIInChI=1S/C25H38O2/c1-19(13-14-22-21(3)12-9-15-25(22,6)7)10-8-11-20(2)16-23-26-17-24(4,5)18-27-23/h8,10-11,13-14,16,23H,9,12,15,17-18H2,1-7H3/b11-8+,14-13+,19-10+,20-16+
InChIKeyAJCHKCKBWGFEOO-NUAALOKZSA-N
MW370.58 g/mol
LogP6.92
Rot. Bonds5

About 2-[(1E,3E,5E,7E)-2,6-dimethyl-8-(2,6,6-trimethylcyclohexen-1-yl)octa-1,3,5,7-tetraenyl]-5,5-dimethyl-1,3-dioxane

2-[(1E,3E,5E,7E)-2,6-dimethyl-8-(2,6,6-trimethylcyclohexen-1-yl)octa-1,3,5,7-tetraenyl]-5,5-dimethyl-1,3-dioxane (PubChem CID 11810786) has the molecular formula C25H38O2 and a molecular weight of 370.58 g/mol. Its IUPAC name is 2-[(1E,3E,5E,7E)-2,6-dimethyl-8-(2,6,6-trimethylcyclohexen-1-yl)octa-1,3,5,7-tetraenyl]-5,5-dimethyl-1,3-dioxane.

Molecular Properties

Compound Name2-[(1E,3E,5E,7E)-2,6-dimethyl-8-(2,6,6-trimethylcyclohexen-1-yl)octa-1,3,5,7-tetraenyl]-5,5-dimethyl-1,3-dioxane
PubChem CID11810786
Molecular FormulaC25H38O2
Molecular Weight370.58 g/mol
Exact Mass370.29
IUPAC Name2-[(1E,3E,5E,7E)-2,6-dimethyl-8-(2,6,6-trimethylcyclohexen-1-yl)octa-1,3,5,7-tetraenyl]-5,5-dimethyl-1,3-dioxane
SMILESCC1=C(/C=C/C(C)=C/C=C/C(C)=C/C2OCC(C)(C)CO2)C(C)(C)CCC1
InChIInChI=1S/C25H38O2/c1-19(13-14-22-21(3)12-9-15-25(22,6)7)10-8-11-20(2)16-23-26-17-24(4,5)18-27-23/h8,10-11,13-14,16,23H,9,12,15,17-18H2,1-7H3/b11-8+,14-13+,19-10+,20-16+
InChIKeyAJCHKCKBWGFEOO-NUAALOKZSA-N
XLogP6.92
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.58
LogP ≤ 56.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[(1E,3E,5E,7E)-2,6-dimethyl-8-(2,6,6-trimethylcyclohexen-1-yl)octa-1,3,5,7-tetraenyl]-5,5-dimethyl-1,3-dioxane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[(1E,3E,5E,7E)-2,6-dimethyl-8-(2,6,6-trimethylcyclohexen-1-yl)octa-1,3,5,7-tetraenyl]-5,5-dimethyl-1,3-dioxane?
The IUPAC name of 2-[(1E,3E,5E,7E)-2,6-dimethyl-8-(2,6,6-trimethylcyclohexen-1-yl)octa-1,3,5,7-tetraenyl]-5,5-dimethyl-1,3-dioxane (CID 11810786) is 2-[(1E,3E,5E,7E)-2,6-dimethyl-8-(2,6,6-trimethylcyclohexen-1-yl)octa-1,3,5,7-tetraenyl]-5,5-dimethyl-1,3-dioxane.
What is the SMILES notation for 2-[(1E,3E,5E,7E)-2,6-dimethyl-8-(2,6,6-trimethylcyclohexen-1-yl)octa-1,3,5,7-tetraenyl]-5,5-dimethyl-1,3-dioxane?
The canonical SMILES for 2-[(1E,3E,5E,7E)-2,6-dimethyl-8-(2,6,6-trimethylcyclohexen-1-yl)octa-1,3,5,7-tetraenyl]-5,5-dimethyl-1,3-dioxane is CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C2OCC(C)(C)CO2)C(C)(C)CCC1.
What is the InChIKey of 2-[(1E,3E,5E,7E)-2,6-dimethyl-8-(2,6,6-trimethylcyclohexen-1-yl)octa-1,3,5,7-tetraenyl]-5,5-dimethyl-1,3-dioxane?
The InChIKey is AJCHKCKBWGFEOO-NUAALOKZSA-N. The full InChI is InChI=1S/C25H38O2/c1-19(13-14-22-21(3)12-9-15-25(22,6)7)10-8-11-20(2)16-23-26-17-24(4,5)18-27-23/h8,10-11,13-14,16,23H,9,12,15,17-18H2,1-7H3/b11-8+,14-13+,19-10+,20-16+.
What are the key properties of 2-[(1E,3E,5E,7E)-2,6-dimethyl-8-(2,6,6-trimethylcyclohexen-1-yl)octa-1,3,5,7-tetraenyl]-5,5-dimethyl-1,3-dioxane?
2-[(1E,3E,5E,7E)-2,6-dimethyl-8-(2,6,6-trimethylcyclohexen-1-yl)octa-1,3,5,7-tetraenyl]-5,5-dimethyl-1,3-dioxane has a molecular weight of 370.58 g/mol, XLogP of 6.92, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1E,3E,5E,7E)-2,6-dimethyl-8-(2,6,6-trimethylcyclohexen-1-yl)octa-1,3,5,7-tetraenyl]-5,5-dimethyl-1,3-dioxane is sourced from PubChem (CID 11810786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).