tert-butyl (2S,4S)-2-cyclohexyl-4-methyl-1,3-oxazinane-3-carboxylate

C16H29NO3 — CID 11119597

IUPACtert-butyl (2S,4S)-2-cyclohexyl-4-methyl-1,3-oxazinane-3-carboxylate
SMILESC[C@H]1CCO[C@@H](C2CCCCC2)N1C(=O)OC(C)(C)C
InChIInChI=1S/C16H29NO3/c1-12-10-11-19-14(13-8-6-5-7-9-13)17(12)15(18)20-16(2,3)4/h12-14H,5-11H2,1-4H3/t12-,14-/m0/s1
InChIKeyDDGBDJGUIMGRTB-JSGCOSHPSA-N
MW283.41 g/mol
LogP3.94
Rot. Bonds1

About tert-butyl (2S,4S)-2-cyclohexyl-4-methyl-1,3-oxazinane-3-carboxylate

tert-butyl (2S,4S)-2-cyclohexyl-4-methyl-1,3-oxazinane-3-carboxylate (PubChem CID 11119597) has the molecular formula C16H29NO3 and a molecular weight of 283.41 g/mol. Its IUPAC name is tert-butyl (2S,4S)-2-cyclohexyl-4-methyl-1,3-oxazinane-3-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S,4S)-2-cyclohexyl-4-methyl-1,3-oxazinane-3-carboxylate
PubChem CID11119597
Molecular FormulaC16H29NO3
Molecular Weight283.41 g/mol
Exact Mass283.21
IUPAC Nametert-butyl (2S,4S)-2-cyclohexyl-4-methyl-1,3-oxazinane-3-carboxylate
SMILESC[C@H]1CCO[C@@H](C2CCCCC2)N1C(=O)OC(C)(C)C
InChIInChI=1S/C16H29NO3/c1-12-10-11-19-14(13-8-6-5-7-9-13)17(12)15(18)20-16(2,3)4/h12-14H,5-11H2,1-4H3/t12-,14-/m0/s1
InChIKeyDDGBDJGUIMGRTB-JSGCOSHPSA-N
XLogP3.94
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.41
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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tert-butyl (3S)-3-[cyclohexyl(methoxy)methyl]morpholine-4-carboxylate
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Tert-butyl 4-cyclohexyl-4-methoxy-1-piperidinecarboxylate
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(5S)-5-butyl-3-(oxan-4-yl)-1-oxa-3-azaspiro[5.5]undecan-2-one
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3-(4-Methylcyclohexyl)-1,3-oxazinan-2-one
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Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S,4S)-2-cyclohexyl-4-methyl-1,3-oxazinane-3-carboxylate?
The IUPAC name of tert-butyl (2S,4S)-2-cyclohexyl-4-methyl-1,3-oxazinane-3-carboxylate (CID 11119597) is tert-butyl (2S,4S)-2-cyclohexyl-4-methyl-1,3-oxazinane-3-carboxylate.
What is the SMILES notation for tert-butyl (2S,4S)-2-cyclohexyl-4-methyl-1,3-oxazinane-3-carboxylate?
The canonical SMILES for tert-butyl (2S,4S)-2-cyclohexyl-4-methyl-1,3-oxazinane-3-carboxylate is C[C@H]1CCO[C@@H](C2CCCCC2)N1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2S,4S)-2-cyclohexyl-4-methyl-1,3-oxazinane-3-carboxylate?
The InChIKey is DDGBDJGUIMGRTB-JSGCOSHPSA-N. The full InChI is InChI=1S/C16H29NO3/c1-12-10-11-19-14(13-8-6-5-7-9-13)17(12)15(18)20-16(2,3)4/h12-14H,5-11H2,1-4H3/t12-,14-/m0/s1.
What are the key properties of tert-butyl (2S,4S)-2-cyclohexyl-4-methyl-1,3-oxazinane-3-carboxylate?
tert-butyl (2S,4S)-2-cyclohexyl-4-methyl-1,3-oxazinane-3-carboxylate has a molecular weight of 283.41 g/mol, XLogP of 3.94, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S,4S)-2-cyclohexyl-4-methyl-1,3-oxazinane-3-carboxylate is sourced from PubChem (CID 11119597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).