(2S,5S)-2,4,4,5-tetramethyl-1,3-oxazinane

C8H17NO — CID 55286741

IUPAC(2S,5S)-2,4,4,5-tetramethyl-1,3-oxazinane
SMILESC[C@@H]1CO[C@@H](C)NC1(C)C
InChIInChI=1S/C8H17NO/c1-6-5-10-7(2)9-8(6,3)4/h6-7,9H,5H2,1-4H3/t6-,7+/m1/s1
InChIKeyMTVDVARWUHDEDA-RQJHMYQMSA-N
MW143.23 g/mol
LogP1.37
Rot. Bonds

About (2S,5S)-2,4,4,5-tetramethyl-1,3-oxazinane

(2S,5S)-2,4,4,5-tetramethyl-1,3-oxazinane (PubChem CID 55286741) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is (2S,5S)-2,4,4,5-tetramethyl-1,3-oxazinane.

Molecular Properties

Compound Name(2S,5S)-2,4,4,5-tetramethyl-1,3-oxazinane
PubChem CID55286741
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name(2S,5S)-2,4,4,5-tetramethyl-1,3-oxazinane
SMILESC[C@@H]1CO[C@@H](C)NC1(C)C
InChIInChI=1S/C8H17NO/c1-6-5-10-7(2)9-8(6,3)4/h6-7,9H,5H2,1-4H3/t6-,7+/m1/s1
InChIKeyMTVDVARWUHDEDA-RQJHMYQMSA-N
XLogP1.37
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,5S)-2,4,4,5-tetramethyl-1,3-oxazinane?
The IUPAC name of (2S,5S)-2,4,4,5-tetramethyl-1,3-oxazinane (CID 55286741) is (2S,5S)-2,4,4,5-tetramethyl-1,3-oxazinane.
What is the SMILES notation for (2S,5S)-2,4,4,5-tetramethyl-1,3-oxazinane?
The canonical SMILES for (2S,5S)-2,4,4,5-tetramethyl-1,3-oxazinane is C[C@@H]1CO[C@@H](C)NC1(C)C.
What is the InChIKey of (2S,5S)-2,4,4,5-tetramethyl-1,3-oxazinane?
The InChIKey is MTVDVARWUHDEDA-RQJHMYQMSA-N. The full InChI is InChI=1S/C8H17NO/c1-6-5-10-7(2)9-8(6,3)4/h6-7,9H,5H2,1-4H3/t6-,7+/m1/s1.
What are the key properties of (2S,5S)-2,4,4,5-tetramethyl-1,3-oxazinane?
(2S,5S)-2,4,4,5-tetramethyl-1,3-oxazinane has a molecular weight of 143.23 g/mol, XLogP of 1.37, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5S)-2,4,4,5-tetramethyl-1,3-oxazinane is sourced from PubChem (CID 55286741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).