(3S,6S)-2,3-dimethyl-6-phenyl-1,5,2-dioxazinane

C11H15NO2 — CID 10631631

IUPAC(3S,6S)-2,3-dimethyl-6-phenyl-1,5,2-dioxazinane
SMILESC[C@H]1CO[C@H](c2ccccc2)ON1C
InChIInChI=1S/C11H15NO2/c1-9-8-13-11(14-12(9)2)10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3/t9-,11-/m0/s1
InChIKeyHSQJSPFCQFFYKS-ONGXEEELSA-N
MW193.25 g/mol
LogP1.97
Rot. Bonds1

About (3S,6S)-2,3-dimethyl-6-phenyl-1,5,2-dioxazinane

(3S,6S)-2,3-dimethyl-6-phenyl-1,5,2-dioxazinane (PubChem CID 10631631) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is (3S,6S)-2,3-dimethyl-6-phenyl-1,5,2-dioxazinane.

Molecular Properties

Compound Name(3S,6S)-2,3-dimethyl-6-phenyl-1,5,2-dioxazinane
PubChem CID10631631
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name(3S,6S)-2,3-dimethyl-6-phenyl-1,5,2-dioxazinane
SMILESC[C@H]1CO[C@H](c2ccccc2)ON1C
InChIInChI=1S/C11H15NO2/c1-9-8-13-11(14-12(9)2)10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3/t9-,11-/m0/s1
InChIKeyHSQJSPFCQFFYKS-ONGXEEELSA-N
XLogP1.97
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-Phenyl-1,3-dioxan-5-amine
CID 11126841
(2S,4R,5R)-4-methyl-2-phenyl-1,3-dioxan-5-amine
CID 44452103
5-Methyl-5-nitro-2-phenyl-1,3-dioxane
CID 347851
3,4-Dimethyl-2-ethoxy-2-phenylmorpholine hydrochloride
CID 86199
4-(2-(Benzyloxy)ethyl)morpholine
CID 23215429
2-Methyl-6-phenyl-1,5,2-dioxazinane
CID 372209
6-(4-Chlorophenyl)-2-methyl-1,5,2-dioxazinane
CID 386976
(2S,4S,5R)-4-methyl-2-phenyl-1,3-dioxan-5-amine
CID 44438004
(2R,4S,5R)-4-methyl-2-phenyl-1,3-dioxan-5-amine
CID 44438008
2-(4-Methylmorpholin-4-yl)-1-(phenylmethoxy)ethane
CID 2302809
(3R,6S)-2,3-dimethyl-6-phenyl-1,5,2-dioxazinane
CID 10774151
2-Phenyl-5-nitro-1,3-dioxane
CID 12768841

Frequently Asked Questions

What is the IUPAC name of (3S,6S)-2,3-dimethyl-6-phenyl-1,5,2-dioxazinane?
The IUPAC name of (3S,6S)-2,3-dimethyl-6-phenyl-1,5,2-dioxazinane (CID 10631631) is (3S,6S)-2,3-dimethyl-6-phenyl-1,5,2-dioxazinane.
What is the SMILES notation for (3S,6S)-2,3-dimethyl-6-phenyl-1,5,2-dioxazinane?
The canonical SMILES for (3S,6S)-2,3-dimethyl-6-phenyl-1,5,2-dioxazinane is C[C@H]1CO[C@H](c2ccccc2)ON1C.
What is the InChIKey of (3S,6S)-2,3-dimethyl-6-phenyl-1,5,2-dioxazinane?
The InChIKey is HSQJSPFCQFFYKS-ONGXEEELSA-N. The full InChI is InChI=1S/C11H15NO2/c1-9-8-13-11(14-12(9)2)10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3/t9-,11-/m0/s1.
What are the key properties of (3S,6S)-2,3-dimethyl-6-phenyl-1,5,2-dioxazinane?
(3S,6S)-2,3-dimethyl-6-phenyl-1,5,2-dioxazinane has a molecular weight of 193.25 g/mol, XLogP of 1.97, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,6S)-2,3-dimethyl-6-phenyl-1,5,2-dioxazinane is sourced from PubChem (CID 10631631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).