5,5-dimethyl-3-(2-methylpropyl)-1,3-oxazinane-2,4-dione

C10H17NO3 — CID 58799694

IUPAC5,5-dimethyl-3-(2-methylpropyl)-1,3-oxazinane-2,4-dione
SMILESCC(C)CN1C(=O)OCC(C)(C)C1=O
InChIInChI=1S/C10H17NO3/c1-7(2)5-11-8(12)10(3,4)6-14-9(11)13/h7H,5-6H2,1-4H3
InChIKeyYRALDKKDTMRQGI-UHFFFAOYSA-N
MW199.25 g/mol
LogP1.65
Rot. Bonds2

About 5,5-dimethyl-3-(2-methylpropyl)-1,3-oxazinane-2,4-dione

5,5-dimethyl-3-(2-methylpropyl)-1,3-oxazinane-2,4-dione (PubChem CID 58799694) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is 5,5-dimethyl-3-(2-methylpropyl)-1,3-oxazinane-2,4-dione.

Molecular Properties

Compound Name5,5-dimethyl-3-(2-methylpropyl)-1,3-oxazinane-2,4-dione
PubChem CID58799694
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name5,5-dimethyl-3-(2-methylpropyl)-1,3-oxazinane-2,4-dione
SMILESCC(C)CN1C(=O)OCC(C)(C)C1=O
InChIInChI=1S/C10H17NO3/c1-7(2)5-11-8(12)10(3,4)6-14-9(11)13/h7H,5-6H2,1-4H3
InChIKeyYRALDKKDTMRQGI-UHFFFAOYSA-N
XLogP1.65
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-3-(2-methylpropyl)-1,3-oxazinane-2,4-dione?
The IUPAC name of 5,5-dimethyl-3-(2-methylpropyl)-1,3-oxazinane-2,4-dione (CID 58799694) is 5,5-dimethyl-3-(2-methylpropyl)-1,3-oxazinane-2,4-dione.
What is the SMILES notation for 5,5-dimethyl-3-(2-methylpropyl)-1,3-oxazinane-2,4-dione?
The canonical SMILES for 5,5-dimethyl-3-(2-methylpropyl)-1,3-oxazinane-2,4-dione is CC(C)CN1C(=O)OCC(C)(C)C1=O.
What is the InChIKey of 5,5-dimethyl-3-(2-methylpropyl)-1,3-oxazinane-2,4-dione?
The InChIKey is YRALDKKDTMRQGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-7(2)5-11-8(12)10(3,4)6-14-9(11)13/h7H,5-6H2,1-4H3.
What are the key properties of 5,5-dimethyl-3-(2-methylpropyl)-1,3-oxazinane-2,4-dione?
5,5-dimethyl-3-(2-methylpropyl)-1,3-oxazinane-2,4-dione has a molecular weight of 199.25 g/mol, XLogP of 1.65, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-3-(2-methylpropyl)-1,3-oxazinane-2,4-dione is sourced from PubChem (CID 58799694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).