2-ethyl-2-propan-2-yl-1,3-oxazinane;3-methyloxet-2-one

C13H23NO3 — CID 21312684

IUPAC2-ethyl-2-propan-2-yl-1,3-oxazinane;3-methyloxet-2-one
SMILESCC1=COC1=O.CCC1(C(C)C)NCCCO1
InChIInChI=1S/C9H19NO.C4H4O2/c1-4-9(8(2)3)10-6-5-7-11-9;1-3-2-6-4(3)5/h8,10H,4-7H2,1-3H3;2H,1H3
InChIKeyOFRZTFKMABLCCZ-UHFFFAOYSA-N
MW241.33 g/mol
LogP2.21
Rot. Bonds2

About 2-ethyl-2-propan-2-yl-1,3-oxazinane;3-methyloxet-2-one

2-ethyl-2-propan-2-yl-1,3-oxazinane;3-methyloxet-2-one (PubChem CID 21312684) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is 2-ethyl-2-propan-2-yl-1,3-oxazinane;3-methyloxet-2-one.

Molecular Properties

Compound Name2-ethyl-2-propan-2-yl-1,3-oxazinane;3-methyloxet-2-one
PubChem CID21312684
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Name2-ethyl-2-propan-2-yl-1,3-oxazinane;3-methyloxet-2-one
SMILESCC1=COC1=O.CCC1(C(C)C)NCCCO1
InChIInChI=1S/C9H19NO.C4H4O2/c1-4-9(8(2)3)10-6-5-7-11-9;1-3-2-6-4(3)5/h8,10H,4-7H2,1-3H3;2H,1H3
InChIKeyOFRZTFKMABLCCZ-UHFFFAOYSA-N
XLogP2.21
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-propan-2-yl-1,3-oxazinane;3-methyloxet-2-one?
The IUPAC name of 2-ethyl-2-propan-2-yl-1,3-oxazinane;3-methyloxet-2-one (CID 21312684) is 2-ethyl-2-propan-2-yl-1,3-oxazinane;3-methyloxet-2-one.
What is the SMILES notation for 2-ethyl-2-propan-2-yl-1,3-oxazinane;3-methyloxet-2-one?
The canonical SMILES for 2-ethyl-2-propan-2-yl-1,3-oxazinane;3-methyloxet-2-one is CC1=COC1=O.CCC1(C(C)C)NCCCO1.
What is the InChIKey of 2-ethyl-2-propan-2-yl-1,3-oxazinane;3-methyloxet-2-one?
The InChIKey is OFRZTFKMABLCCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO.C4H4O2/c1-4-9(8(2)3)10-6-5-7-11-9;1-3-2-6-4(3)5/h8,10H,4-7H2,1-3H3;2H,1H3.
What are the key properties of 2-ethyl-2-propan-2-yl-1,3-oxazinane;3-methyloxet-2-one?
2-ethyl-2-propan-2-yl-1,3-oxazinane;3-methyloxet-2-one has a molecular weight of 241.33 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-propan-2-yl-1,3-oxazinane;3-methyloxet-2-one is sourced from PubChem (CID 21312684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).