2,4-diethyl-6-phenyl-1,3-dioxane

C14H20O2 — CID 71439891

IUPAC2,4-diethyl-6-phenyl-1,3-dioxane
SMILESCCC1CC(c2ccccc2)OC(CC)O1
InChIInChI=1S/C14H20O2/c1-3-12-10-13(16-14(4-2)15-12)11-8-6-5-7-9-11/h5-9,12-14H,3-4,10H2,1-2H3
InChIKeyKXBMUFXTGZCBTL-UHFFFAOYSA-N
MW220.31 g/mol
LogP3.68
Rot. Bonds3

About 2,4-diethyl-6-phenyl-1,3-dioxane

2,4-diethyl-6-phenyl-1,3-dioxane (PubChem CID 71439891) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is 2,4-diethyl-6-phenyl-1,3-dioxane.

Molecular Properties

Compound Name2,4-diethyl-6-phenyl-1,3-dioxane
PubChem CID71439891
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name2,4-diethyl-6-phenyl-1,3-dioxane
SMILESCCC1CC(c2ccccc2)OC(CC)O1
InChIInChI=1S/C14H20O2/c1-3-12-10-13(16-14(4-2)15-12)11-8-6-5-7-9-11/h5-9,12-14H,3-4,10H2,1-2H3
InChIKeyKXBMUFXTGZCBTL-UHFFFAOYSA-N
XLogP3.68
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,5R)-2-ethyl-5-phenyloxolane
CID 102280065
2-(4,6-diethyl-1,3-dioxan-2-yl)phenol
CID 126548901
(2S,5R)-2-ethyl-3-methyl-5-phenyl-1,3-oxazolidine
CID 10012771
butan-2-ol;4-ethyl-6-methyl-2-phenyl-1,3-dioxane
CID 91399868
2-butyl-4-chloro-6-phenyloxane
CID 101188329
ethane;2-phenyloxirane
CID 54171856
(2S,4S,6S)-2-methyl-6-phenyloxan-4-ol
CID 134981811
(2R,6S)-2-butyl-6-phenyloxane
CID 131845672
2-phenyloxirane
CID 7276
2-benzyl-5-ethyloxolane
CID 134971012
(2S,5S)-2-(iodomethyl)-5-phenyloxolane
CID 101241677
(2S,5R)-2-(bromomethyl)-5-phenyloxolane
CID 23247977

Frequently Asked Questions

What is the IUPAC name of 2,4-diethyl-6-phenyl-1,3-dioxane?
The IUPAC name of 2,4-diethyl-6-phenyl-1,3-dioxane (CID 71439891) is 2,4-diethyl-6-phenyl-1,3-dioxane.
What is the SMILES notation for 2,4-diethyl-6-phenyl-1,3-dioxane?
The canonical SMILES for 2,4-diethyl-6-phenyl-1,3-dioxane is CCC1CC(c2ccccc2)OC(CC)O1.
What is the InChIKey of 2,4-diethyl-6-phenyl-1,3-dioxane?
The InChIKey is KXBMUFXTGZCBTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2/c1-3-12-10-13(16-14(4-2)15-12)11-8-6-5-7-9-11/h5-9,12-14H,3-4,10H2,1-2H3.
What are the key properties of 2,4-diethyl-6-phenyl-1,3-dioxane?
2,4-diethyl-6-phenyl-1,3-dioxane has a molecular weight of 220.31 g/mol, XLogP of 3.68, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diethyl-6-phenyl-1,3-dioxane is sourced from PubChem (CID 71439891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).