(7-tert-butyl-2-oxa-7-azaspiro[3.4]octan-5-yl)methanol

C11H21NO2 — CID 176847731

IUPAC(7-tert-butyl-2-oxa-7-azaspiro[3.4]octan-5-yl)methanol
SMILESCC(C)(C)N1CC(CO)C2(COC2)C1
InChIInChI=1S/C11H21NO2/c1-10(2,3)12-4-9(5-13)11(6-12)7-14-8-11/h9,13H,4-8H2,1-3H3
InChIKeyAWKHXBDRBWMAMW-UHFFFAOYSA-N
MW199.29 g/mol
LogP0.73
Rot. Bonds1

About (7-tert-butyl-2-oxa-7-azaspiro[3.4]octan-5-yl)methanol

(7-tert-butyl-2-oxa-7-azaspiro[3.4]octan-5-yl)methanol (PubChem CID 176847731) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is (7-tert-butyl-2-oxa-7-azaspiro[3.4]octan-5-yl)methanol.

Molecular Properties

Compound Name(7-tert-butyl-2-oxa-7-azaspiro[3.4]octan-5-yl)methanol
PubChem CID176847731
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name(7-tert-butyl-2-oxa-7-azaspiro[3.4]octan-5-yl)methanol
SMILESCC(C)(C)N1CC(CO)C2(COC2)C1
InChIInChI=1S/C11H21NO2/c1-10(2,3)12-4-9(5-13)11(6-12)7-14-8-11/h9,13H,4-8H2,1-3H3
InChIKeyAWKHXBDRBWMAMW-UHFFFAOYSA-N
XLogP0.73
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (7-tert-butyl-2-oxa-7-azaspiro[3.4]octan-5-yl)methanol?
The IUPAC name of (7-tert-butyl-2-oxa-7-azaspiro[3.4]octan-5-yl)methanol (CID 176847731) is (7-tert-butyl-2-oxa-7-azaspiro[3.4]octan-5-yl)methanol.
What is the SMILES notation for (7-tert-butyl-2-oxa-7-azaspiro[3.4]octan-5-yl)methanol?
The canonical SMILES for (7-tert-butyl-2-oxa-7-azaspiro[3.4]octan-5-yl)methanol is CC(C)(C)N1CC(CO)C2(COC2)C1.
What is the InChIKey of (7-tert-butyl-2-oxa-7-azaspiro[3.4]octan-5-yl)methanol?
The InChIKey is AWKHXBDRBWMAMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-10(2,3)12-4-9(5-13)11(6-12)7-14-8-11/h9,13H,4-8H2,1-3H3.
What are the key properties of (7-tert-butyl-2-oxa-7-azaspiro[3.4]octan-5-yl)methanol?
(7-tert-butyl-2-oxa-7-azaspiro[3.4]octan-5-yl)methanol has a molecular weight of 199.29 g/mol, XLogP of 0.73, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7-tert-butyl-2-oxa-7-azaspiro[3.4]octan-5-yl)methanol is sourced from PubChem (CID 176847731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).