(3-hydroxy-4,4-dimethyl-1,3-oxazinan-6-yl)methyl acetate

C9H17NO4 — CID 11745732

IUPAC(3-hydroxy-4,4-dimethyl-1,3-oxazinan-6-yl)methyl acetate
SMILESCC(=O)OCC1CC(C)(C)N(O)CO1
InChIInChI=1S/C9H17NO4/c1-7(11)13-5-8-4-9(2,3)10(12)6-14-8/h8,12H,4-6H2,1-3H3
InChIKeyOGLBXJSAWGAJAN-UHFFFAOYSA-N
MW203.24 g/mol
LogP0.77
Rot. Bonds2

About (3-hydroxy-4,4-dimethyl-1,3-oxazinan-6-yl)methyl acetate

(3-hydroxy-4,4-dimethyl-1,3-oxazinan-6-yl)methyl acetate (PubChem CID 11745732) has the molecular formula C9H17NO4 and a molecular weight of 203.24 g/mol. Its IUPAC name is (3-hydroxy-4,4-dimethyl-1,3-oxazinan-6-yl)methyl acetate.

Molecular Properties

Compound Name(3-hydroxy-4,4-dimethyl-1,3-oxazinan-6-yl)methyl acetate
PubChem CID11745732
Molecular FormulaC9H17NO4
Molecular Weight203.24 g/mol
Exact Mass203.12
IUPAC Name(3-hydroxy-4,4-dimethyl-1,3-oxazinan-6-yl)methyl acetate
SMILESCC(=O)OCC1CC(C)(C)N(O)CO1
InChIInChI=1S/C9H17NO4/c1-7(11)13-5-8-4-9(2,3)10(12)6-14-8/h8,12H,4-6H2,1-3H3
InChIKeyOGLBXJSAWGAJAN-UHFFFAOYSA-N
XLogP0.77
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3-hydroxy-4,4-dimethyl-1,3-oxazinan-6-yl)methyl acetate?
The IUPAC name of (3-hydroxy-4,4-dimethyl-1,3-oxazinan-6-yl)methyl acetate (CID 11745732) is (3-hydroxy-4,4-dimethyl-1,3-oxazinan-6-yl)methyl acetate.
What is the SMILES notation for (3-hydroxy-4,4-dimethyl-1,3-oxazinan-6-yl)methyl acetate?
The canonical SMILES for (3-hydroxy-4,4-dimethyl-1,3-oxazinan-6-yl)methyl acetate is CC(=O)OCC1CC(C)(C)N(O)CO1.
What is the InChIKey of (3-hydroxy-4,4-dimethyl-1,3-oxazinan-6-yl)methyl acetate?
The InChIKey is OGLBXJSAWGAJAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO4/c1-7(11)13-5-8-4-9(2,3)10(12)6-14-8/h8,12H,4-6H2,1-3H3.
What are the key properties of (3-hydroxy-4,4-dimethyl-1,3-oxazinan-6-yl)methyl acetate?
(3-hydroxy-4,4-dimethyl-1,3-oxazinan-6-yl)methyl acetate has a molecular weight of 203.24 g/mol, XLogP of 0.77, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxy-4,4-dimethyl-1,3-oxazinan-6-yl)methyl acetate is sourced from PubChem (CID 11745732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).