(2R)-2,6,6-trimethyl-1,4-oxazepane

C8H17NO — CID 177088964

IUPAC(2R)-2,6,6-trimethyl-1,4-oxazepane
SMILESC[C@@H]1CNCC(C)(C)CO1
InChIInChI=1S/C8H17NO/c1-7-4-9-5-8(2,3)6-10-7/h7,9H,4-6H2,1-3H3/t7-/m1/s1
InChIKeyOWKXGWYYGZIINN-SSDOTTSWSA-N
MW143.23 g/mol
LogP1.02
Rot. Bonds

About (2R)-2,6,6-trimethyl-1,4-oxazepane

(2R)-2,6,6-trimethyl-1,4-oxazepane (PubChem CID 177088964) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is (2R)-2,6,6-trimethyl-1,4-oxazepane.

Molecular Properties

Compound Name(2R)-2,6,6-trimethyl-1,4-oxazepane
PubChem CID177088964
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name(2R)-2,6,6-trimethyl-1,4-oxazepane
SMILESC[C@@H]1CNCC(C)(C)CO1
InChIInChI=1S/C8H17NO/c1-7-4-9-5-8(2,3)6-10-7/h7,9H,4-6H2,1-3H3/t7-/m1/s1
InChIKeyOWKXGWYYGZIINN-SSDOTTSWSA-N
XLogP1.02
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 ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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(2S)-2,5,5-trimethylmorpholine;hydrochloride
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2,2,6-trimethylmorpholine;hydrochloride
CID 172641070
8,8-dimethyl-2,3,4a,5,6,7,9,9a-octahydro-[1,4]dioxino[2,3-c]azepine;ethane
CID 144812856
2-(2-bromophenyl)-6,6-dimethyl-1,4-oxazepane
CID 115362109
2-ethyl-2,6-dimethylmorpholine
CID 65102213
5-ethyl-2,5-dimethylmorpholine
CID 22689125
(2R,6R)-2-(difluoromethyl)-2,6-dimethylmorpholine
CID 125424449
(3aS,6aS)-3a-methyl-2,3,4,5,6,6a-hexahydrofuro[2,3-c]pyrrole
CID 130851400
(5R,7S)-7-methyl-2,6-dioxa-9-azaspiro[4.5]decane
CID 96936602
7-methyl-6-oxa-2-azaspiro[3.5]nonane
CID 154577129

Frequently Asked Questions

What is the IUPAC name of (2R)-2,6,6-trimethyl-1,4-oxazepane?
The IUPAC name of (2R)-2,6,6-trimethyl-1,4-oxazepane (CID 177088964) is (2R)-2,6,6-trimethyl-1,4-oxazepane.
What is the SMILES notation for (2R)-2,6,6-trimethyl-1,4-oxazepane?
The canonical SMILES for (2R)-2,6,6-trimethyl-1,4-oxazepane is C[C@@H]1CNCC(C)(C)CO1.
What is the InChIKey of (2R)-2,6,6-trimethyl-1,4-oxazepane?
The InChIKey is OWKXGWYYGZIINN-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H17NO/c1-7-4-9-5-8(2,3)6-10-7/h7,9H,4-6H2,1-3H3/t7-/m1/s1.
What are the key properties of (2R)-2,6,6-trimethyl-1,4-oxazepane?
(2R)-2,6,6-trimethyl-1,4-oxazepane has a molecular weight of 143.23 g/mol, XLogP of 1.02, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2,6,6-trimethyl-1,4-oxazepane is sourced from PubChem (CID 177088964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).