(8S)-2-propan-2-yl-5-oxa-2-azaspiro[3.4]octan-8-ol

C9H17NO2 — CID 167291888

IUPAC(8S)-2-propan-2-yl-5-oxa-2-azaspiro[3.4]octan-8-ol
SMILESCC(C)N1CC2(C1)OCC[C@@H]2O
InChIInChI=1S/C9H17NO2/c1-7(2)10-5-9(6-10)8(11)3-4-12-9/h7-8,11H,3-6H2,1-2H3/t8-/m0/s1
InChIKeyPYCHDFIAOVENTG-QMMMGPOBSA-N
MW171.24 g/mol
LogP0.23
Rot. Bonds1

About (8S)-2-propan-2-yl-5-oxa-2-azaspiro[3.4]octan-8-ol

(8S)-2-propan-2-yl-5-oxa-2-azaspiro[3.4]octan-8-ol (PubChem CID 167291888) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is (8S)-2-propan-2-yl-5-oxa-2-azaspiro[3.4]octan-8-ol.

Molecular Properties

Compound Name(8S)-2-propan-2-yl-5-oxa-2-azaspiro[3.4]octan-8-ol
PubChem CID167291888
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name(8S)-2-propan-2-yl-5-oxa-2-azaspiro[3.4]octan-8-ol
SMILESCC(C)N1CC2(C1)OCC[C@@H]2O
InChIInChI=1S/C9H17NO2/c1-7(2)10-5-9(6-10)8(11)3-4-12-9/h7-8,11H,3-6H2,1-2H3/t8-/m0/s1
InChIKeyPYCHDFIAOVENTG-QMMMGPOBSA-N
XLogP0.23
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (8S)-2-propan-2-yl-5-oxa-2-azaspiro[3.4]octan-8-ol?
The IUPAC name of (8S)-2-propan-2-yl-5-oxa-2-azaspiro[3.4]octan-8-ol (CID 167291888) is (8S)-2-propan-2-yl-5-oxa-2-azaspiro[3.4]octan-8-ol.
What is the SMILES notation for (8S)-2-propan-2-yl-5-oxa-2-azaspiro[3.4]octan-8-ol?
The canonical SMILES for (8S)-2-propan-2-yl-5-oxa-2-azaspiro[3.4]octan-8-ol is CC(C)N1CC2(C1)OCC[C@@H]2O.
What is the InChIKey of (8S)-2-propan-2-yl-5-oxa-2-azaspiro[3.4]octan-8-ol?
The InChIKey is PYCHDFIAOVENTG-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H17NO2/c1-7(2)10-5-9(6-10)8(11)3-4-12-9/h7-8,11H,3-6H2,1-2H3/t8-/m0/s1.
What are the key properties of (8S)-2-propan-2-yl-5-oxa-2-azaspiro[3.4]octan-8-ol?
(8S)-2-propan-2-yl-5-oxa-2-azaspiro[3.4]octan-8-ol has a molecular weight of 171.24 g/mol, XLogP of 0.23, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-2-propan-2-yl-5-oxa-2-azaspiro[3.4]octan-8-ol is sourced from PubChem (CID 167291888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).