5,5,6,6,10,10-hexamethyl-2-oxa-3-azatricyclo[5.3.1.04,11]undeca-1(11),3-diene

C15H23NO — CID 15304084

IUPAC5,5,6,6,10,10-hexamethyl-2-oxa-3-azatricyclo[5.3.1.04,11]undeca-1(11),3-diene
SMILESCC1(C)CCC2c3c(noc31)C(C)(C)C2(C)C
InChIInChI=1S/C15H23NO/c1-13(2)8-7-9-10-11(16-17-12(10)13)15(5,6)14(9,3)4/h9H,7-8H2,1-6H3
InChIKeyLSVXQMKCEFFFJF-UHFFFAOYSA-N
MW233.35 g/mol
LogP4.15
Rot. Bonds

About 5,5,6,6,10,10-hexamethyl-2-oxa-3-azatricyclo[5.3.1.04,11]undeca-1(11),3-diene

5,5,6,6,10,10-hexamethyl-2-oxa-3-azatricyclo[5.3.1.04,11]undeca-1(11),3-diene (PubChem CID 15304084) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 5,5,6,6,10,10-hexamethyl-2-oxa-3-azatricyclo[5.3.1.04,11]undeca-1(11),3-diene.

Molecular Properties

Compound Name5,5,6,6,10,10-hexamethyl-2-oxa-3-azatricyclo[5.3.1.04,11]undeca-1(11),3-diene
PubChem CID15304084
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name5,5,6,6,10,10-hexamethyl-2-oxa-3-azatricyclo[5.3.1.04,11]undeca-1(11),3-diene
SMILESCC1(C)CCC2c3c(noc31)C(C)(C)C2(C)C
InChIInChI=1S/C15H23NO/c1-13(2)8-7-9-10-11(16-17-12(10)13)15(5,6)14(9,3)4/h9H,7-8H2,1-6H3
InChIKeyLSVXQMKCEFFFJF-UHFFFAOYSA-N
XLogP4.15
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,2S,5S,9S,10R)-1,5-dimethyl-14-oxa-13-azapentacyclo[10.6.1.02,10.05,9.015,19]nonadeca-12,15(19)-diene-6,16-dione
CID 127026654
1,10,10-Trimethyl-5-(trifluoromethyl)-4-oxa-3-azatricyclo[5.2.1.02,6]deca-2,5-diene
CID 2817824
(4Z)-N-hydroxy-6,6-dimethyl-3-propyl-6,7-dihydro-1,2-benzoxazol-4(5H)-imine
CID 5407245
[(Z)-(3,6,6-trimethyl-5,7-dihydro-1,2-benzoxazol-4-ylidene)amino] acetate
CID 5407253
4-(Hydroxyimino)-3,6,6-trimethyl-5,6,7-trihydrobenzo[2,1-d]isoxazole
CID 6111792
(1R,5S)-1,5-dimethyl-14-oxa-13-azapentacyclo[10.6.1.02,10.05,9.015,19]nonadeca-12,15(19)-diene-6,16-dione
CID 10041276
(3aS,6R)-3,3,3'-trimethylspiro[4,5-dihydro-3aH-cyclopenta[c][1,2]oxazole-6,7'-5,6-dihydro-4H-2,1-benzoxazole]
CID 16051679
3,4,4,7-tetramethyl-5,6,7,8,8a,9-hexahydro-4aH-benzo[f][1,2]benzoxazole
CID 164668154
(1S,7R)-1,10,10-trimethyl-5-(trifluoromethyl)-4-oxa-3-azatricyclo[5.2.1.02,6]deca-2,5-diene
CID 736935
(1R,7S)-1,10,10-trimethyl-5-(trifluoromethyl)-4-oxa-3-azatricyclo[5.2.1.02,6]deca-2,5-diene
CID 736936
(1S,7S)-1,10,10-trimethyl-5-(trifluoromethyl)-4-oxa-3-azatricyclo[5.2.1.02,6]deca-2,5-diene
CID 21239529
(1R,7R)-1,10,10-trimethyl-5-(trifluoromethyl)-4-oxa-3-azatricyclo[5.2.1.02,6]deca-2,5-diene
CID 21239530

Frequently Asked Questions

What is the IUPAC name of 5,5,6,6,10,10-hexamethyl-2-oxa-3-azatricyclo[5.3.1.04,11]undeca-1(11),3-diene?
The IUPAC name of 5,5,6,6,10,10-hexamethyl-2-oxa-3-azatricyclo[5.3.1.04,11]undeca-1(11),3-diene (CID 15304084) is 5,5,6,6,10,10-hexamethyl-2-oxa-3-azatricyclo[5.3.1.04,11]undeca-1(11),3-diene.
What is the SMILES notation for 5,5,6,6,10,10-hexamethyl-2-oxa-3-azatricyclo[5.3.1.04,11]undeca-1(11),3-diene?
The canonical SMILES for 5,5,6,6,10,10-hexamethyl-2-oxa-3-azatricyclo[5.3.1.04,11]undeca-1(11),3-diene is CC1(C)CCC2c3c(noc31)C(C)(C)C2(C)C.
What is the InChIKey of 5,5,6,6,10,10-hexamethyl-2-oxa-3-azatricyclo[5.3.1.04,11]undeca-1(11),3-diene?
The InChIKey is LSVXQMKCEFFFJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-13(2)8-7-9-10-11(16-17-12(10)13)15(5,6)14(9,3)4/h9H,7-8H2,1-6H3.
What are the key properties of 5,5,6,6,10,10-hexamethyl-2-oxa-3-azatricyclo[5.3.1.04,11]undeca-1(11),3-diene?
5,5,6,6,10,10-hexamethyl-2-oxa-3-azatricyclo[5.3.1.04,11]undeca-1(11),3-diene has a molecular weight of 233.35 g/mol, XLogP of 4.15, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,6,6,10,10-hexamethyl-2-oxa-3-azatricyclo[5.3.1.04,11]undeca-1(11),3-diene is sourced from PubChem (CID 15304084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).