2,2-dibenzyl-5-ethyl-5-methyl-1,3-dioxane

C21H26O2 — CID 15363612

IUPAC2,2-dibenzyl-5-ethyl-5-methyl-1,3-dioxane
SMILESCCC1(C)COC(Cc2ccccc2)(Cc2ccccc2)OC1
InChIInChI=1S/C21H26O2/c1-3-20(2)16-22-21(23-17-20,14-18-10-6-4-7-11-18)15-19-12-8-5-9-13-19/h4-13H,3,14-17H2,1-2H3
InChIKeyCDHVAPDQUBXYSH-UHFFFAOYSA-N
MW310.44 g/mol
LogP4.63
Rot. Bonds5

About 2,2-dibenzyl-5-ethyl-5-methyl-1,3-dioxane

2,2-dibenzyl-5-ethyl-5-methyl-1,3-dioxane (PubChem CID 15363612) has the molecular formula C21H26O2 and a molecular weight of 310.44 g/mol. Its IUPAC name is 2,2-dibenzyl-5-ethyl-5-methyl-1,3-dioxane.

Molecular Properties

Compound Name2,2-dibenzyl-5-ethyl-5-methyl-1,3-dioxane
PubChem CID15363612
Molecular FormulaC21H26O2
Molecular Weight310.44 g/mol
Exact Mass310.19
IUPAC Name2,2-dibenzyl-5-ethyl-5-methyl-1,3-dioxane
SMILESCCC1(C)COC(Cc2ccccc2)(Cc2ccccc2)OC1
InChIInChI=1S/C21H26O2/c1-3-20(2)16-22-21(23-17-20,14-18-10-6-4-7-11-18)15-19-12-8-5-9-13-19/h4-13H,3,14-17H2,1-2H3
InChIKeyCDHVAPDQUBXYSH-UHFFFAOYSA-N
XLogP4.63
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Phenyl acetaldehyde diisobutyl acetal
CID 71544
1,1-Bis(phenethyloxy)ethane
CID 101592
1,3-Dioxane, 4,4,6-trimethyl-2-(phenylmethyl)-
CID 95266
2,5,5-Trimethyl-2-phenyl-1,3-dioxane
CID 79409
2,5-Dimethoxy-2,5-diphenyl-1,4-dioxane
CID 5059104
2-benzyl-4-methyl-4a,5,6,7,8,8a-hexahydro-4H-benzo[d][1,3]dioxine
CID 66916420
Benzene, [2,2-bis(3-methylbutoxy)ethyl]-
CID 109464
1,3-Dioxane, 4,4-dimethyl-2,6-diphenyl-
CID 53425980
3-Methyl-3-(2-phenylethoxy)-1,2-dioxaspiro[4.5]decane
CID 52938478
3-Butyl-3,5-dimethyl-5-(2-phenylethoxy)dioxolane
CID 71455645
2-Benzyl-1,3-dioxane
CID 79601
1,3-Dioxane, 4,5,6-trimethyl-2-(phenylmethyl)-
CID 103385

Frequently Asked Questions

What is the IUPAC name of 2,2-dibenzyl-5-ethyl-5-methyl-1,3-dioxane?
The IUPAC name of 2,2-dibenzyl-5-ethyl-5-methyl-1,3-dioxane (CID 15363612) is 2,2-dibenzyl-5-ethyl-5-methyl-1,3-dioxane.
What is the SMILES notation for 2,2-dibenzyl-5-ethyl-5-methyl-1,3-dioxane?
The canonical SMILES for 2,2-dibenzyl-5-ethyl-5-methyl-1,3-dioxane is CCC1(C)COC(Cc2ccccc2)(Cc2ccccc2)OC1.
What is the InChIKey of 2,2-dibenzyl-5-ethyl-5-methyl-1,3-dioxane?
The InChIKey is CDHVAPDQUBXYSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26O2/c1-3-20(2)16-22-21(23-17-20,14-18-10-6-4-7-11-18)15-19-12-8-5-9-13-19/h4-13H,3,14-17H2,1-2H3.
What are the key properties of 2,2-dibenzyl-5-ethyl-5-methyl-1,3-dioxane?
2,2-dibenzyl-5-ethyl-5-methyl-1,3-dioxane has a molecular weight of 310.44 g/mol, XLogP of 4.63, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dibenzyl-5-ethyl-5-methyl-1,3-dioxane is sourced from PubChem (CID 15363612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).