8-tert-butyl-9-ethyl-5,5,7,7,11-pentamethyl-2-oxa-8-azaspiro[3.8]dodecane

C21H41NO — CID 146606640

IUPAC8-tert-butyl-9-ethyl-5,5,7,7,11-pentamethyl-2-oxa-8-azaspiro[3.8]dodecane
SMILESCCC1CC(C)CC2(COC2)C(C)(C)CC(C)(C)N1C(C)(C)C
InChIInChI=1S/C21H41NO/c1-10-17-11-16(2)12-21(14-23-15-21)19(6,7)13-20(8,9)22(17)18(3,4)5/h16-17H,10-15H2,1-9H3
InChIKeyUENJWSJKDSRTJK-UHFFFAOYSA-N
MW323.57 g/mol
LogP5.51
Rot. Bonds1

About 8-tert-butyl-9-ethyl-5,5,7,7,11-pentamethyl-2-oxa-8-azaspiro[3.8]dodecane

8-tert-butyl-9-ethyl-5,5,7,7,11-pentamethyl-2-oxa-8-azaspiro[3.8]dodecane (PubChem CID 146606640) has the molecular formula C21H41NO and a molecular weight of 323.57 g/mol. Its IUPAC name is 8-tert-butyl-9-ethyl-5,5,7,7,11-pentamethyl-2-oxa-8-azaspiro[3.8]dodecane.

Molecular Properties

Compound Name8-tert-butyl-9-ethyl-5,5,7,7,11-pentamethyl-2-oxa-8-azaspiro[3.8]dodecane
PubChem CID146606640
Molecular FormulaC21H41NO
Molecular Weight323.57 g/mol
Exact Mass323.32
IUPAC Name8-tert-butyl-9-ethyl-5,5,7,7,11-pentamethyl-2-oxa-8-azaspiro[3.8]dodecane
SMILESCCC1CC(C)CC2(COC2)C(C)(C)CC(C)(C)N1C(C)(C)C
InChIInChI=1S/C21H41NO/c1-10-17-11-16(2)12-21(14-23-15-21)19(6,7)13-20(8,9)22(17)18(3,4)5/h16-17H,10-15H2,1-9H3
InChIKeyUENJWSJKDSRTJK-UHFFFAOYSA-N
XLogP5.51
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.57
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 8-tert-butyl-9-ethyl-5,5,7,7,11-pentamethyl-2-oxa-8-azaspiro[3.8]dodecane with MolForge

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Related Compounds

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CID 170386744
6-ethyl-1,2,2-trimethylpiperazine
CID 82416007
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Frequently Asked Questions

What is the IUPAC name of 8-tert-butyl-9-ethyl-5,5,7,7,11-pentamethyl-2-oxa-8-azaspiro[3.8]dodecane?
The IUPAC name of 8-tert-butyl-9-ethyl-5,5,7,7,11-pentamethyl-2-oxa-8-azaspiro[3.8]dodecane (CID 146606640) is 8-tert-butyl-9-ethyl-5,5,7,7,11-pentamethyl-2-oxa-8-azaspiro[3.8]dodecane.
What is the SMILES notation for 8-tert-butyl-9-ethyl-5,5,7,7,11-pentamethyl-2-oxa-8-azaspiro[3.8]dodecane?
The canonical SMILES for 8-tert-butyl-9-ethyl-5,5,7,7,11-pentamethyl-2-oxa-8-azaspiro[3.8]dodecane is CCC1CC(C)CC2(COC2)C(C)(C)CC(C)(C)N1C(C)(C)C.
What is the InChIKey of 8-tert-butyl-9-ethyl-5,5,7,7,11-pentamethyl-2-oxa-8-azaspiro[3.8]dodecane?
The InChIKey is UENJWSJKDSRTJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H41NO/c1-10-17-11-16(2)12-21(14-23-15-21)19(6,7)13-20(8,9)22(17)18(3,4)5/h16-17H,10-15H2,1-9H3.
What are the key properties of 8-tert-butyl-9-ethyl-5,5,7,7,11-pentamethyl-2-oxa-8-azaspiro[3.8]dodecane?
8-tert-butyl-9-ethyl-5,5,7,7,11-pentamethyl-2-oxa-8-azaspiro[3.8]dodecane has a molecular weight of 323.57 g/mol, XLogP of 5.51, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-tert-butyl-9-ethyl-5,5,7,7,11-pentamethyl-2-oxa-8-azaspiro[3.8]dodecane is sourced from PubChem (CID 146606640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).