benzene;6-(2-hydroxy-2-methylpropyl)-1,3-oxazinan-2-one

C14H21NO3 — CID 143887161

IUPACbenzene;6-(2-hydroxy-2-methylpropyl)-1,3-oxazinan-2-one
SMILESCC(C)(O)CC1CCNC(=O)O1.c1ccccc1
InChIInChI=1S/C8H15NO3.C6H6/c1-8(2,11)5-6-3-4-9-7(10)12-6;1-2-4-6-5-3-1/h6,11H,3-5H2,1-2H3,(H,9,10);1-6H
InChIKeyZGETXQOZQVSBRT-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.33
Rot. Bonds2

About benzene;6-(2-hydroxy-2-methylpropyl)-1,3-oxazinan-2-one

benzene;6-(2-hydroxy-2-methylpropyl)-1,3-oxazinan-2-one (PubChem CID 143887161) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is benzene;6-(2-hydroxy-2-methylpropyl)-1,3-oxazinan-2-one.

Molecular Properties

Compound Namebenzene;6-(2-hydroxy-2-methylpropyl)-1,3-oxazinan-2-one
PubChem CID143887161
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Namebenzene;6-(2-hydroxy-2-methylpropyl)-1,3-oxazinan-2-one
SMILESCC(C)(O)CC1CCNC(=O)O1.c1ccccc1
InChIInChI=1S/C8H15NO3.C6H6/c1-8(2,11)5-6-3-4-9-7(10)12-6;1-2-4-6-5-3-1/h6,11H,3-5H2,1-2H3,(H,9,10);1-6H
InChIKeyZGETXQOZQVSBRT-UHFFFAOYSA-N
XLogP2.33
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of benzene;6-(2-hydroxy-2-methylpropyl)-1,3-oxazinan-2-one?
The IUPAC name of benzene;6-(2-hydroxy-2-methylpropyl)-1,3-oxazinan-2-one (CID 143887161) is benzene;6-(2-hydroxy-2-methylpropyl)-1,3-oxazinan-2-one.
What is the SMILES notation for benzene;6-(2-hydroxy-2-methylpropyl)-1,3-oxazinan-2-one?
The canonical SMILES for benzene;6-(2-hydroxy-2-methylpropyl)-1,3-oxazinan-2-one is CC(C)(O)CC1CCNC(=O)O1.c1ccccc1.
What is the InChIKey of benzene;6-(2-hydroxy-2-methylpropyl)-1,3-oxazinan-2-one?
The InChIKey is ZGETXQOZQVSBRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3.C6H6/c1-8(2,11)5-6-3-4-9-7(10)12-6;1-2-4-6-5-3-1/h6,11H,3-5H2,1-2H3,(H,9,10);1-6H.
What are the key properties of benzene;6-(2-hydroxy-2-methylpropyl)-1,3-oxazinan-2-one?
benzene;6-(2-hydroxy-2-methylpropyl)-1,3-oxazinan-2-one has a molecular weight of 251.33 g/mol, XLogP of 2.33, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;6-(2-hydroxy-2-methylpropyl)-1,3-oxazinan-2-one is sourced from PubChem (CID 143887161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).