(6S)-2,2,6-trimethyl-4-propan-2-yl-1,4-oxazepan-6-ol

C11H23NO2 — CID 176594040

IUPAC(6S)-2,2,6-trimethyl-4-propan-2-yl-1,4-oxazepan-6-ol
SMILESCC(C)N1CC(C)(C)OC[C@@](C)(O)C1
InChIInChI=1S/C11H23NO2/c1-9(2)12-6-10(3,4)14-8-11(5,13)7-12/h9,13H,6-8H2,1-5H3/t11-/m0/s1
InChIKeySYVXFRDVWTZKDJ-NSHDSACASA-N
MW201.31 g/mol
LogP1.26
Rot. Bonds1

About (6S)-2,2,6-trimethyl-4-propan-2-yl-1,4-oxazepan-6-ol

(6S)-2,2,6-trimethyl-4-propan-2-yl-1,4-oxazepan-6-ol (PubChem CID 176594040) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is (6S)-2,2,6-trimethyl-4-propan-2-yl-1,4-oxazepan-6-ol.

Molecular Properties

Compound Name(6S)-2,2,6-trimethyl-4-propan-2-yl-1,4-oxazepan-6-ol
PubChem CID176594040
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name(6S)-2,2,6-trimethyl-4-propan-2-yl-1,4-oxazepan-6-ol
SMILESCC(C)N1CC(C)(C)OC[C@@](C)(O)C1
InChIInChI=1S/C11H23NO2/c1-9(2)12-6-10(3,4)14-8-11(5,13)7-12/h9,13H,6-8H2,1-5H3/t11-/m0/s1
InChIKeySYVXFRDVWTZKDJ-NSHDSACASA-N
XLogP1.26
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (6S)-2,2,6-trimethyl-4-propan-2-yl-1,4-oxazepan-6-ol with MolForge

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Related Compounds

3-methyl-1-propan-2-ylazetidin-3-ol
CID 58334516
7,7-dimethyl-2-propan-2-yl-6-oxa-2-azaspiro[3.5]nonane
CID 129290547
ethane;2,2,6,6-tetramethyl-4-propan-2-ylmorpholine
CID 178173229
5,5-difluoro-3-methyl-1-propan-2-ylpiperidin-3-ol
CID 178173049
3-methyl-1-propan-2-ylpiperidin-3-ol
CID 69087871
2,2-dimethyloxirane;methanol
CID 161373463
2,6-di(propan-2-yl)-2,6-diazaspiro[3.3]heptane
CID 20781150
methane;6-propan-2-yl-2-oxa-6-azaspiro[3.3]heptane
CID 159337288
(3aS,6aS)-1,3a,6a-trimethyl-5-propan-2-yl-2,3,4,6-tetrahydropyrrolo[2,3-c]pyrrole
CID 157157728
7,7-difluoro-2-propan-2-yl-5-oxa-2-azaspiro[3.4]octane
CID 157033147
bis(3-methyl-1-propan-2-ylazetidin-3-ol);bis((3S)-3-methyl-1-propan-2-ylpyrrolidin-3-ol);1-propan-2-ylpyrrolidine;bis((3S)-1-propan-2-ylpyrrolidin-3-ol)
CID 167683219
2-hydroxy-6-propan-2-yl-2,6-diazaspiro[3.3]heptane
CID 157227822

Frequently Asked Questions

What is the IUPAC name of (6S)-2,2,6-trimethyl-4-propan-2-yl-1,4-oxazepan-6-ol?
The IUPAC name of (6S)-2,2,6-trimethyl-4-propan-2-yl-1,4-oxazepan-6-ol (CID 176594040) is (6S)-2,2,6-trimethyl-4-propan-2-yl-1,4-oxazepan-6-ol.
What is the SMILES notation for (6S)-2,2,6-trimethyl-4-propan-2-yl-1,4-oxazepan-6-ol?
The canonical SMILES for (6S)-2,2,6-trimethyl-4-propan-2-yl-1,4-oxazepan-6-ol is CC(C)N1CC(C)(C)OC[C@@](C)(O)C1.
What is the InChIKey of (6S)-2,2,6-trimethyl-4-propan-2-yl-1,4-oxazepan-6-ol?
The InChIKey is SYVXFRDVWTZKDJ-NSHDSACASA-N. The full InChI is InChI=1S/C11H23NO2/c1-9(2)12-6-10(3,4)14-8-11(5,13)7-12/h9,13H,6-8H2,1-5H3/t11-/m0/s1.
What are the key properties of (6S)-2,2,6-trimethyl-4-propan-2-yl-1,4-oxazepan-6-ol?
(6S)-2,2,6-trimethyl-4-propan-2-yl-1,4-oxazepan-6-ol has a molecular weight of 201.31 g/mol, XLogP of 1.26, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-2,2,6-trimethyl-4-propan-2-yl-1,4-oxazepan-6-ol is sourced from PubChem (CID 176594040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).