(4R)-5,5-dimethyl-4-(2,4,6-trimethylphenyl)-1,3-oxazinan-2-one;hydrochloride

C15H22ClNO2 — CID 171188148

IUPAC(4R)-5,5-dimethyl-4-(2,4,6-trimethylphenyl)-1,3-oxazinan-2-one;hydrochloride
SMILESCc1cc(C)c([C@H]2NC(=O)OCC2(C)C)c(C)c1.Cl
InChIInChI=1S/C15H21NO2.ClH/c1-9-6-10(2)12(11(3)7-9)13-15(4,5)8-18-14(17)16-13;/h6-7,13H,8H2,1-5H3,(H,16,17);1H/t13-;/m1./s1
InChIKeyRFENNSUJLSWSLH-BTQNPOSSSA-N
MW283.80 g/mol
LogP3.84
Rot. Bonds1

About (4R)-5,5-dimethyl-4-(2,4,6-trimethylphenyl)-1,3-oxazinan-2-one;hydrochloride

(4R)-5,5-dimethyl-4-(2,4,6-trimethylphenyl)-1,3-oxazinan-2-one;hydrochloride (PubChem CID 171188148) has the molecular formula C15H22ClNO2 and a molecular weight of 283.80 g/mol. Its IUPAC name is (4R)-5,5-dimethyl-4-(2,4,6-trimethylphenyl)-1,3-oxazinan-2-one;hydrochloride.

Molecular Properties

Compound Name(4R)-5,5-dimethyl-4-(2,4,6-trimethylphenyl)-1,3-oxazinan-2-one;hydrochloride
PubChem CID171188148
Molecular FormulaC15H22ClNO2
Molecular Weight283.80 g/mol
Exact Mass283.13
IUPAC Name(4R)-5,5-dimethyl-4-(2,4,6-trimethylphenyl)-1,3-oxazinan-2-one;hydrochloride
SMILESCc1cc(C)c([C@H]2NC(=O)OCC2(C)C)c(C)c1.Cl
InChIInChI=1S/C15H21NO2.ClH/c1-9-6-10(2)12(11(3)7-9)13-15(4,5)8-18-14(17)16-13;/h6-7,13H,8H2,1-5H3,(H,16,17);1H/t13-;/m1./s1
InChIKeyRFENNSUJLSWSLH-BTQNPOSSSA-N
XLogP3.84
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4R)-5,5-dimethyl-4-(2,4,6-trimethylphenyl)-1,3-oxazinan-2-one;hydrochloride?
The IUPAC name of (4R)-5,5-dimethyl-4-(2,4,6-trimethylphenyl)-1,3-oxazinan-2-one;hydrochloride (CID 171188148) is (4R)-5,5-dimethyl-4-(2,4,6-trimethylphenyl)-1,3-oxazinan-2-one;hydrochloride.
What is the SMILES notation for (4R)-5,5-dimethyl-4-(2,4,6-trimethylphenyl)-1,3-oxazinan-2-one;hydrochloride?
The canonical SMILES for (4R)-5,5-dimethyl-4-(2,4,6-trimethylphenyl)-1,3-oxazinan-2-one;hydrochloride is Cc1cc(C)c([C@H]2NC(=O)OCC2(C)C)c(C)c1.Cl.
What is the InChIKey of (4R)-5,5-dimethyl-4-(2,4,6-trimethylphenyl)-1,3-oxazinan-2-one;hydrochloride?
The InChIKey is RFENNSUJLSWSLH-BTQNPOSSSA-N. The full InChI is InChI=1S/C15H21NO2.ClH/c1-9-6-10(2)12(11(3)7-9)13-15(4,5)8-18-14(17)16-13;/h6-7,13H,8H2,1-5H3,(H,16,17);1H/t13-;/m1./s1.
What are the key properties of (4R)-5,5-dimethyl-4-(2,4,6-trimethylphenyl)-1,3-oxazinan-2-one;hydrochloride?
(4R)-5,5-dimethyl-4-(2,4,6-trimethylphenyl)-1,3-oxazinan-2-one;hydrochloride has a molecular weight of 283.80 g/mol, XLogP of 3.84, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-5,5-dimethyl-4-(2,4,6-trimethylphenyl)-1,3-oxazinan-2-one;hydrochloride is sourced from PubChem (CID 171188148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).