4,4,6-trimethyl-2-[1-(4-propan-2-ylphenyl)propan-2-yl]-1,3-dioxane

C19H30O2 — CID 11971365

IUPAC4,4,6-trimethyl-2-[1-(4-propan-2-ylphenyl)propan-2-yl]-1,3-dioxane
SMILESCC1CC(C)(C)OC(C(C)Cc2ccc(C(C)C)cc2)O1
InChIInChI=1S/C19H30O2/c1-13(2)17-9-7-16(8-10-17)11-14(3)18-20-15(4)12-19(5,6)21-18/h7-10,13-15,18H,11-12H2,1-6H3
InChIKeyHMBQDSPREBNWHZ-UHFFFAOYSA-N
MW290.45 g/mol
LogP4.92
Rot. Bonds4

About 4,4,6-trimethyl-2-[1-(4-propan-2-ylphenyl)propan-2-yl]-1,3-dioxane

4,4,6-trimethyl-2-[1-(4-propan-2-ylphenyl)propan-2-yl]-1,3-dioxane (PubChem CID 11971365) has the molecular formula C19H30O2 and a molecular weight of 290.45 g/mol. Its IUPAC name is 4,4,6-trimethyl-2-[1-(4-propan-2-ylphenyl)propan-2-yl]-1,3-dioxane.

Molecular Properties

Compound Name4,4,6-trimethyl-2-[1-(4-propan-2-ylphenyl)propan-2-yl]-1,3-dioxane
PubChem CID11971365
Molecular FormulaC19H30O2
Molecular Weight290.45 g/mol
Exact Mass290.22
IUPAC Name4,4,6-trimethyl-2-[1-(4-propan-2-ylphenyl)propan-2-yl]-1,3-dioxane
SMILESCC1CC(C)(C)OC(C(C)Cc2ccc(C(C)C)cc2)O1
InChIInChI=1S/C19H30O2/c1-13(2)17-9-7-16(8-10-17)11-14(3)18-20-15(4)12-19(5,6)21-18/h7-10,13-15,18H,11-12H2,1-6H3
InChIKeyHMBQDSPREBNWHZ-UHFFFAOYSA-N
XLogP4.92
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4,6-trimethyl-2-[1-(4-propan-2-ylphenyl)propan-2-yl]-1,3-dioxane?
The IUPAC name of 4,4,6-trimethyl-2-[1-(4-propan-2-ylphenyl)propan-2-yl]-1,3-dioxane (CID 11971365) is 4,4,6-trimethyl-2-[1-(4-propan-2-ylphenyl)propan-2-yl]-1,3-dioxane.
What is the SMILES notation for 4,4,6-trimethyl-2-[1-(4-propan-2-ylphenyl)propan-2-yl]-1,3-dioxane?
The canonical SMILES for 4,4,6-trimethyl-2-[1-(4-propan-2-ylphenyl)propan-2-yl]-1,3-dioxane is CC1CC(C)(C)OC(C(C)Cc2ccc(C(C)C)cc2)O1.
What is the InChIKey of 4,4,6-trimethyl-2-[1-(4-propan-2-ylphenyl)propan-2-yl]-1,3-dioxane?
The InChIKey is HMBQDSPREBNWHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30O2/c1-13(2)17-9-7-16(8-10-17)11-14(3)18-20-15(4)12-19(5,6)21-18/h7-10,13-15,18H,11-12H2,1-6H3.
What are the key properties of 4,4,6-trimethyl-2-[1-(4-propan-2-ylphenyl)propan-2-yl]-1,3-dioxane?
4,4,6-trimethyl-2-[1-(4-propan-2-ylphenyl)propan-2-yl]-1,3-dioxane has a molecular weight of 290.45 g/mol, XLogP of 4.92, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,6-trimethyl-2-[1-(4-propan-2-ylphenyl)propan-2-yl]-1,3-dioxane is sourced from PubChem (CID 11971365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).