2-tert-butyl-6,6-dimethyl-1,3-oxazinane

C10H21NO — CID 154614463

IUPAC2-tert-butyl-6,6-dimethyl-1,3-oxazinane
SMILESCC1(C)CCNC(C(C)(C)C)O1
InChIInChI=1S/C10H21NO/c1-9(2,3)8-11-7-6-10(4,5)12-8/h8,11H,6-7H2,1-5H3
InChIKeySRTVRUVVHCWERI-UHFFFAOYSA-N
MW171.28 g/mol
LogP2.15
Rot. Bonds

About 2-tert-butyl-6,6-dimethyl-1,3-oxazinane

2-tert-butyl-6,6-dimethyl-1,3-oxazinane (PubChem CID 154614463) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 2-tert-butyl-6,6-dimethyl-1,3-oxazinane.

Molecular Properties

Compound Name2-tert-butyl-6,6-dimethyl-1,3-oxazinane
PubChem CID154614463
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name2-tert-butyl-6,6-dimethyl-1,3-oxazinane
SMILESCC1(C)CCNC(C(C)(C)C)O1
InChIInChI=1S/C10H21NO/c1-9(2,3)8-11-7-6-10(4,5)12-8/h8,11H,6-7H2,1-5H3
InChIKeySRTVRUVVHCWERI-UHFFFAOYSA-N
XLogP2.15
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6,6-dimethyl-1,3-oxazinane?
The IUPAC name of 2-tert-butyl-6,6-dimethyl-1,3-oxazinane (CID 154614463) is 2-tert-butyl-6,6-dimethyl-1,3-oxazinane.
What is the SMILES notation for 2-tert-butyl-6,6-dimethyl-1,3-oxazinane?
The canonical SMILES for 2-tert-butyl-6,6-dimethyl-1,3-oxazinane is CC1(C)CCNC(C(C)(C)C)O1.
What is the InChIKey of 2-tert-butyl-6,6-dimethyl-1,3-oxazinane?
The InChIKey is SRTVRUVVHCWERI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-9(2,3)8-11-7-6-10(4,5)12-8/h8,11H,6-7H2,1-5H3.
What are the key properties of 2-tert-butyl-6,6-dimethyl-1,3-oxazinane?
2-tert-butyl-6,6-dimethyl-1,3-oxazinane has a molecular weight of 171.28 g/mol, XLogP of 2.15, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6,6-dimethyl-1,3-oxazinane is sourced from PubChem (CID 154614463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).