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

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

CAS: 5182-36-5

Formula: C13H18O2

SMILES: CC1CC(C)(OC(C)O1)C1=CC=CC=C1

IUPAC: 2,4,6-trimethyl-4-phenyl-1,3-dioxane

InChI: InChI=1/C13H18O2/c1-10-9-13(3,15-11(2)14-10)12-7-5-4-6-8-12/h4-8,10-11H,9H2,1-3H3

Composition: C (75.69%), H (8.80%), O (15.51%)

Molar Mass: 206.285

Atom Count: 33

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	3
Exact Mass	206.13067982
Formal Charge	0
FSP3	0.54
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	IEZPIUQRQRWIFE-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	59.94
Topological Polar Surface Area	18.46
Polarizability	23.87
Ring Count	2
Rotatable Bond Count	1

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