5-tert-butyl-2-methoxy-1,3-dinitrosobenzene

C11H14N2O3 — CID 89021339

IUPAC5-tert-butyl-2-methoxy-1,3-dinitrosobenzene
SMILESCOc1c(N=O)cc(C(C)(C)C)cc1N=O
InChIInChI=1S/C11H14N2O3/c1-11(2,3)7-5-8(12-14)10(16-4)9(6-7)13-15/h5-6H,1-4H3
InChIKeyYCVBVFQHVZILHQ-UHFFFAOYSA-N
MW222.24 g/mol
LogP3.79
Rot. Bonds3

About 5-tert-butyl-2-methoxy-1,3-dinitrosobenzene

5-tert-butyl-2-methoxy-1,3-dinitrosobenzene (PubChem CID 89021339) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is 5-tert-butyl-2-methoxy-1,3-dinitrosobenzene.

Molecular Properties

Compound Name5-tert-butyl-2-methoxy-1,3-dinitrosobenzene
PubChem CID89021339
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name5-tert-butyl-2-methoxy-1,3-dinitrosobenzene
SMILESCOc1c(N=O)cc(C(C)(C)C)cc1N=O
InChIInChI=1S/C11H14N2O3/c1-11(2,3)7-5-8(12-14)10(16-4)9(6-7)13-15/h5-6H,1-4H3
InChIKeyYCVBVFQHVZILHQ-UHFFFAOYSA-N
XLogP3.79
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-tert-butyl-2-methoxy-3-nitrosobenzenesulfonyl iodide
CID 88947475
N-(5-tert-butyl-2-methoxy-3-nitrosophenyl)-2-methylpropane-1-sulfonamide
CID 129311331
5-tert-butyl-2-methoxybenzene-1,3-diamine;ethane;methanethiol
CID 145338891
5,11,17,23,29,35,41,47-octatert-butyl-49,50,51,52,53,54,55,56-octamethoxy-2,8,14,20,26,32,38,44-octazanonacyclo[43.3.1.13,7.19,13.115,19.121,25.127,31.133,37.139,43]hexapentaconta-1(48),3,5,7(56),9,11,13(55),15,17,19(54),21,23,25(53),27(52),28,30,33(51),34,36,39(50),40,42,45(49),46-tetracosaene
CID 102147081
5,11,17,23,29-pentatert-butyl-31,32,33,34,35-pentamethoxyhexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(30),3,5,7(35),9,11,13(34),15,17,19(33),21(32),22,24,27(31),28-pentadecaene
CID 14932368
(2,4,6-tritert-butylphenyl) nitrite
CID 14950011
5-tert-butyl-2-methoxy-3-methylaniline
CID 21353746
5-tert-butyl-1,2-dimethoxy-3-methylbenzene;ethane
CID 143060734
2,8,14,20,26,32,38,44-octabromo-5,11,17,23,29,35,41,47-octatert-butyl-49,50,51,52,53,54,55,56-octamethoxynonacyclo[43.3.1.13,7.19,13.115,19.121,25.127,31.133,37.139,43]hexapentaconta-1(48),3,5,7(56),9,11,13(55),15,17,19(54),21,23,25(53),27(52),28,30,33(51),34,36,39(50),40,42,45(49),46-tetracosaene
CID 12036408
2,8,14,20,26-pentabromo-5,11,17,23,29-pentatert-butyl-31,32,33,34,35-pentamethoxyhexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(30),3,5,7(35),9,11,13(34),15,17,19(33),21(32),22,24,27(31),28-pentadecaene
CID 102597562
benzene;5,11,17,23,29-pentatert-butyl-31,32,33,34,35-pentamethoxy-2,8,14,20,26-pentazahexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(30),3,5,7(35),9,11,13(34),15,17,19(33),21(32),22,24,27(31),28-pentadecaene
CID 139196684
7,15-ditert-butyl-17,18-dimethoxy-3,11-dithiatricyclo[11.3.1.15,9]octadeca-1(16),5,7,9(18),13(17),14-hexaene
CID 12707941

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-methoxy-1,3-dinitrosobenzene?
The IUPAC name of 5-tert-butyl-2-methoxy-1,3-dinitrosobenzene (CID 89021339) is 5-tert-butyl-2-methoxy-1,3-dinitrosobenzene.
What is the SMILES notation for 5-tert-butyl-2-methoxy-1,3-dinitrosobenzene?
The canonical SMILES for 5-tert-butyl-2-methoxy-1,3-dinitrosobenzene is COc1c(N=O)cc(C(C)(C)C)cc1N=O.
What is the InChIKey of 5-tert-butyl-2-methoxy-1,3-dinitrosobenzene?
The InChIKey is YCVBVFQHVZILHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c1-11(2,3)7-5-8(12-14)10(16-4)9(6-7)13-15/h5-6H,1-4H3.
What are the key properties of 5-tert-butyl-2-methoxy-1,3-dinitrosobenzene?
5-tert-butyl-2-methoxy-1,3-dinitrosobenzene has a molecular weight of 222.24 g/mol, XLogP of 3.79, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-methoxy-1,3-dinitrosobenzene is sourced from PubChem (CID 89021339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).