3,4,4-trimethyl-1-oxa-2-azaspiro[4.6]undec-2-ene

C12H21NO — CID 58134888

IUPAC3,4,4-trimethyl-1-oxa-2-azaspiro[4.6]undec-2-ene
SMILESCC1=NOC2(CCCCCC2)C1(C)C
InChIInChI=1S/C12H21NO/c1-10-11(2,3)12(14-13-10)8-6-4-5-7-9-12/h4-9H2,1-3H3
InChIKeyLTDKAVKDYDVJPL-UHFFFAOYSA-N
MW195.31 g/mol
LogP3.51
Rot. Bonds

About 3,4,4-trimethyl-1-oxa-2-azaspiro[4.6]undec-2-ene

3,4,4-trimethyl-1-oxa-2-azaspiro[4.6]undec-2-ene (PubChem CID 58134888) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 3,4,4-trimethyl-1-oxa-2-azaspiro[4.6]undec-2-ene.

Molecular Properties

Compound Name3,4,4-trimethyl-1-oxa-2-azaspiro[4.6]undec-2-ene
PubChem CID58134888
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name3,4,4-trimethyl-1-oxa-2-azaspiro[4.6]undec-2-ene
SMILESCC1=NOC2(CCCCCC2)C1(C)C
InChIInChI=1S/C12H21NO/c1-10-11(2,3)12(14-13-10)8-6-4-5-7-9-12/h4-9H2,1-3H3
InChIKeyLTDKAVKDYDVJPL-UHFFFAOYSA-N
XLogP3.51
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethyl-7,7-dimethyl-5,6-dihydro-4H-oxazepine
CID 135040132
6-Methyl-7-oxa-8-azabicyclo[4.2.1]non-1(8)-ene
CID 91700794
3-Tert-butyl-1-oxa-2-azaspiro[4.5]dec-2-ene
CID 13296101
3,4,4-Trimethyl-1-oxa-2-azaspiro[4.4]non-2-ene
CID 13694196
3-Methyl-1-oxa-2-azaspiro[4.6]undec-2-ene
CID 20644760
3,3a,7a-Trimethyl-4,5,6,7-tetrahydro-1,2-benzoxazole
CID 58134895
3,4,4-Trimethyl-1-oxa-2-azaspiro[4.5]dec-2-ene
CID 58134966
3,3a,8a-trimethyl-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole
CID 58134969
4,4,5,5-Tetramethyl-3-(2-methylpropyl)-1,2-oxazole;tungsten
CID 58361828
3,5-ditert-butyl-5-propan-2-yl-4H-1,2-oxazole
CID 58735354
3,5-ditert-butyl-5-methyl-4H-1,2-oxazole
CID 58735361
5-tert-butyl-5-methyl-3-propyl-4H-1,2-oxazole
CID 58989909

Frequently Asked Questions

What is the IUPAC name of 3,4,4-trimethyl-1-oxa-2-azaspiro[4.6]undec-2-ene?
The IUPAC name of 3,4,4-trimethyl-1-oxa-2-azaspiro[4.6]undec-2-ene (CID 58134888) is 3,4,4-trimethyl-1-oxa-2-azaspiro[4.6]undec-2-ene.
What is the SMILES notation for 3,4,4-trimethyl-1-oxa-2-azaspiro[4.6]undec-2-ene?
The canonical SMILES for 3,4,4-trimethyl-1-oxa-2-azaspiro[4.6]undec-2-ene is CC1=NOC2(CCCCCC2)C1(C)C.
What is the InChIKey of 3,4,4-trimethyl-1-oxa-2-azaspiro[4.6]undec-2-ene?
The InChIKey is LTDKAVKDYDVJPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-10-11(2,3)12(14-13-10)8-6-4-5-7-9-12/h4-9H2,1-3H3.
What are the key properties of 3,4,4-trimethyl-1-oxa-2-azaspiro[4.6]undec-2-ene?
3,4,4-trimethyl-1-oxa-2-azaspiro[4.6]undec-2-ene has a molecular weight of 195.31 g/mol, XLogP of 3.51, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,4-trimethyl-1-oxa-2-azaspiro[4.6]undec-2-ene is sourced from PubChem (CID 58134888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).