8,10,10,12,12-pentamethyl-3-oxa-8-azaspiro[5.6]dodecan-7-one

C15H27NO2 — CID 90852014

IUPAC8,10,10,12,12-pentamethyl-3-oxa-8-azaspiro[5.6]dodecan-7-one
SMILESCN1CC(C)(C)CC(C)(C)C2(CCOCC2)C1=O
InChIInChI=1S/C15H27NO2/c1-13(2)10-14(3,4)15(6-8-18-9-7-15)12(17)16(5)11-13/h6-11H2,1-5H3
InChIKeyCRCHFMVJYYCVLJ-UHFFFAOYSA-N
MW253.39 g/mol
LogP2.70
Rot. Bonds

About 8,10,10,12,12-pentamethyl-3-oxa-8-azaspiro[5.6]dodecan-7-one

8,10,10,12,12-pentamethyl-3-oxa-8-azaspiro[5.6]dodecan-7-one (PubChem CID 90852014) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is 8,10,10,12,12-pentamethyl-3-oxa-8-azaspiro[5.6]dodecan-7-one.

Molecular Properties

Compound Name8,10,10,12,12-pentamethyl-3-oxa-8-azaspiro[5.6]dodecan-7-one
PubChem CID90852014
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC Name8,10,10,12,12-pentamethyl-3-oxa-8-azaspiro[5.6]dodecan-7-one
SMILESCN1CC(C)(C)CC(C)(C)C2(CCOCC2)C1=O
InChIInChI=1S/C15H27NO2/c1-13(2)10-14(3,4)15(6-8-18-9-7-15)12(17)16(5)11-13/h6-11H2,1-5H3
InChIKeyCRCHFMVJYYCVLJ-UHFFFAOYSA-N
XLogP2.70
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8,10,10,12,12-pentamethyl-3-oxa-8-azaspiro[5.6]dodecan-7-one?
The IUPAC name of 8,10,10,12,12-pentamethyl-3-oxa-8-azaspiro[5.6]dodecan-7-one (CID 90852014) is 8,10,10,12,12-pentamethyl-3-oxa-8-azaspiro[5.6]dodecan-7-one.
What is the SMILES notation for 8,10,10,12,12-pentamethyl-3-oxa-8-azaspiro[5.6]dodecan-7-one?
The canonical SMILES for 8,10,10,12,12-pentamethyl-3-oxa-8-azaspiro[5.6]dodecan-7-one is CN1CC(C)(C)CC(C)(C)C2(CCOCC2)C1=O.
What is the InChIKey of 8,10,10,12,12-pentamethyl-3-oxa-8-azaspiro[5.6]dodecan-7-one?
The InChIKey is CRCHFMVJYYCVLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2/c1-13(2)10-14(3,4)15(6-8-18-9-7-15)12(17)16(5)11-13/h6-11H2,1-5H3.
What are the key properties of 8,10,10,12,12-pentamethyl-3-oxa-8-azaspiro[5.6]dodecan-7-one?
8,10,10,12,12-pentamethyl-3-oxa-8-azaspiro[5.6]dodecan-7-one has a molecular weight of 253.39 g/mol, XLogP of 2.70, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8,10,10,12,12-pentamethyl-3-oxa-8-azaspiro[5.6]dodecan-7-one is sourced from PubChem (CID 90852014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).