4-[[6-[[2,2-dimethyl-6-(3,3,5,5-tetramethylheptyl)-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-6-ethenyl-2,2-dimethyl-1,3-dioxane

C33H60O6 — CID 123432558

IUPAC4-[[6-[[2,2-dimethyl-6-(3,3,5,5-tetramethylheptyl)-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-6-ethenyl-2,2-dimethyl-1,3-dioxane
SMILESC=CC1CC(CC2CC(CC3CC(CCC(C)(C)CC(C)(C)CC)OC(C)(C)O3)OC(C)(C)O2)OC(C)(C)O1
InChIInChI=1S/C33H60O6/c1-13-23-17-25(36-31(7,8)34-23)19-27-21-28(39-33(11,12)38-27)20-26-18-24(35-32(9,10)37-26)15-16-30(5,6)22-29(3,4)14-2/h13,23-28H,1,14-22H2,2-12H3
InChIKeyGKZBZVQGQDZSSU-UHFFFAOYSA-N
MW552.84 g/mol
LogP8.32
Rot. Bonds11

About 4-[[6-[[2,2-dimethyl-6-(3,3,5,5-tetramethylheptyl)-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-6-ethenyl-2,2-dimethyl-1,3-dioxane

4-[[6-[[2,2-dimethyl-6-(3,3,5,5-tetramethylheptyl)-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-6-ethenyl-2,2-dimethyl-1,3-dioxane (PubChem CID 123432558) has the molecular formula C33H60O6 and a molecular weight of 552.84 g/mol. Its IUPAC name is 4-[[6-[[2,2-dimethyl-6-(3,3,5,5-tetramethylheptyl)-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-6-ethenyl-2,2-dimethyl-1,3-dioxane.

Molecular Properties

Compound Name4-[[6-[[2,2-dimethyl-6-(3,3,5,5-tetramethylheptyl)-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-6-ethenyl-2,2-dimethyl-1,3-dioxane
PubChem CID123432558
Molecular FormulaC33H60O6
Molecular Weight552.84 g/mol
Exact Mass552.44
IUPAC Name4-[[6-[[2,2-dimethyl-6-(3,3,5,5-tetramethylheptyl)-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-6-ethenyl-2,2-dimethyl-1,3-dioxane
SMILESC=CC1CC(CC2CC(CC3CC(CCC(C)(C)CC(C)(C)CC)OC(C)(C)O3)OC(C)(C)O2)OC(C)(C)O1
InChIInChI=1S/C33H60O6/c1-13-23-17-25(36-31(7,8)34-23)19-27-21-28(39-33(11,12)38-27)20-26-18-24(35-32(9,10)37-26)15-16-30(5,6)22-29(3,4)14-2/h13,23-28H,1,14-22H2,2-12H3
InChIKeyGKZBZVQGQDZSSU-UHFFFAOYSA-N
XLogP8.32
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.84
LogP ≤ 58.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-[[6-[[2,2-dimethyl-6-(3,3,5,5-tetramethylheptyl)-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-6-ethenyl-2,2-dimethyl-1,3-dioxane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[[6-[[2,2-dimethyl-6-(3,3,5,5-tetramethylheptyl)-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-6-ethenyl-2,2-dimethyl-1,3-dioxane?
The IUPAC name of 4-[[6-[[2,2-dimethyl-6-(3,3,5,5-tetramethylheptyl)-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-6-ethenyl-2,2-dimethyl-1,3-dioxane (CID 123432558) is 4-[[6-[[2,2-dimethyl-6-(3,3,5,5-tetramethylheptyl)-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-6-ethenyl-2,2-dimethyl-1,3-dioxane.
What is the SMILES notation for 4-[[6-[[2,2-dimethyl-6-(3,3,5,5-tetramethylheptyl)-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-6-ethenyl-2,2-dimethyl-1,3-dioxane?
The canonical SMILES for 4-[[6-[[2,2-dimethyl-6-(3,3,5,5-tetramethylheptyl)-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-6-ethenyl-2,2-dimethyl-1,3-dioxane is C=CC1CC(CC2CC(CC3CC(CCC(C)(C)CC(C)(C)CC)OC(C)(C)O3)OC(C)(C)O2)OC(C)(C)O1.
What is the InChIKey of 4-[[6-[[2,2-dimethyl-6-(3,3,5,5-tetramethylheptyl)-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-6-ethenyl-2,2-dimethyl-1,3-dioxane?
The InChIKey is GKZBZVQGQDZSSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H60O6/c1-13-23-17-25(36-31(7,8)34-23)19-27-21-28(39-33(11,12)38-27)20-26-18-24(35-32(9,10)37-26)15-16-30(5,6)22-29(3,4)14-2/h13,23-28H,1,14-22H2,2-12H3.
What are the key properties of 4-[[6-[[2,2-dimethyl-6-(3,3,5,5-tetramethylheptyl)-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-6-ethenyl-2,2-dimethyl-1,3-dioxane?
4-[[6-[[2,2-dimethyl-6-(3,3,5,5-tetramethylheptyl)-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-6-ethenyl-2,2-dimethyl-1,3-dioxane has a molecular weight of 552.84 g/mol, XLogP of 8.32, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-[[2,2-dimethyl-6-(3,3,5,5-tetramethylheptyl)-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-6-ethenyl-2,2-dimethyl-1,3-dioxane is sourced from PubChem (CID 123432558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).