6-tert-butyl-1,7-dimethyl-3-(trideuteriomethyl)dibenzofuran

C19H22O — CID 160733628

IUPAC6-tert-butyl-1,7-dimethyl-3-(trideuteriomethyl)dibenzofuran
SMILES[2H]C([2H])([2H])c1cc(C)c2c(c1)oc1c(C(C)(C)C)c(C)ccc12
InChIInChI=1S/C19H22O/c1-11-9-13(3)16-14-8-7-12(2)17(19(4,5)6)18(14)20-15(16)10-11/h7-10H,1-6H3/i1D3
InChIKeyYXGFQNCFKKNPND-FIBGUPNXSA-N
MW269.40 g/mol
LogP5.81
Rot. Bonds1

About 6-tert-butyl-1,7-dimethyl-3-(trideuteriomethyl)dibenzofuran

6-tert-butyl-1,7-dimethyl-3-(trideuteriomethyl)dibenzofuran (PubChem CID 160733628) has the molecular formula C19H22O and a molecular weight of 269.40 g/mol. Its IUPAC name is 6-tert-butyl-1,7-dimethyl-3-(trideuteriomethyl)dibenzofuran.

Molecular Properties

Compound Name6-tert-butyl-1,7-dimethyl-3-(trideuteriomethyl)dibenzofuran
PubChem CID160733628
Molecular FormulaC19H22O
Molecular Weight269.40 g/mol
Exact Mass269.19
IUPAC Name6-tert-butyl-1,7-dimethyl-3-(trideuteriomethyl)dibenzofuran
SMILES[2H]C([2H])([2H])c1cc(C)c2c(c1)oc1c(C(C)(C)C)c(C)ccc12
InChIInChI=1S/C19H22O/c1-11-9-13(3)16-14-8-7-12(2)17(19(4,5)6)18(14)20-15(16)10-11/h7-10H,1-6H3/i1D3
InChIKeyYXGFQNCFKKNPND-FIBGUPNXSA-N
XLogP5.81
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500269.40
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-tert-butyl-6-methyl-18-(trideuteriomethyl)-3-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,14,16(21),17,19-decaene
CID 160733631
1-methyl-2-[3-methyl-7,9-bis(trideuteriomethyl)dibenzofuran-4-yl]-4,5-bis(trideuteriomethyl)pyridin-1-ium
CID 168730919
21-tert-butyl-20-methyl-23-oxahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaene
CID 146820800
7-tert-butyl-6-methyl-4-(trideuteriomethyl)-9-oxapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaene
CID 153286283
10-tert-butyl-3-(1,1-dideuterio-2,2-dimethylpropyl)-9-methylnaphtho[1,2-b][1]benzofuran
CID 157443925
8-tert-butyl-7-methyl-2-phenyl-[1]benzofuro[2,3-b]pyridine
CID 172534782
2-tert-butyl-1,3-dimethylbenzene;2-tert-butyl-1,3-dimethyl-5-(trideuteriomethyl)benzene;1-tert-butyl-2-propan-2-ylbenzene;1,2-ditert-butylbenzene;1,2-ditert-butyl-3-(2-deuteriopropan-2-yl)benzene
CID 159013100
4-tert-butyl-3-methyl-1-(trideuteriomethyl)naphtho[2,3-b][1]benzofuran;8-tert-butyl-9-methyl-11-(trideuteriomethyl)naphtho[2,1-b][1]benzofuran;10-tert-butyl-9-methyl-7-(trideuteriomethyl)naphtho[1,2-b][1]benzofuran;5-tert-butyl-6-methyl-8-(trideuteriomethyl)-3-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,14,16,18,20-decaene;8-tert-butyl-7-methyl-5-(trideuteriomethyl)-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene;10-tert-butyl-9-methyl-7-(trideuteriomethyl)phenanthro[1,2-b][1]benzofuran
CID 160855138
6-tert-butyl-3-isocyano-7-methyl-4-naphthalen-2-yldibenzofuran
CID 172534769
6,15,24-tritert-butyl-9,18,27-trioxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21(26),22,24-dodecaene
CID 163848105
2-methyl-8-(2-methylpropyl)-1-(3,7,9-trimethyldibenzofuran-4-yl)-[1]benzothiolo[2,3-c]pyridin-2-ium
CID 162500400
1-methyl-3-(7-methyldibenzofuran-3-yl)dibenzofuran
CID 134513522

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-1,7-dimethyl-3-(trideuteriomethyl)dibenzofuran?
The IUPAC name of 6-tert-butyl-1,7-dimethyl-3-(trideuteriomethyl)dibenzofuran (CID 160733628) is 6-tert-butyl-1,7-dimethyl-3-(trideuteriomethyl)dibenzofuran.
What is the SMILES notation for 6-tert-butyl-1,7-dimethyl-3-(trideuteriomethyl)dibenzofuran?
The canonical SMILES for 6-tert-butyl-1,7-dimethyl-3-(trideuteriomethyl)dibenzofuran is [2H]C([2H])([2H])c1cc(C)c2c(c1)oc1c(C(C)(C)C)c(C)ccc12.
What is the InChIKey of 6-tert-butyl-1,7-dimethyl-3-(trideuteriomethyl)dibenzofuran?
The InChIKey is YXGFQNCFKKNPND-FIBGUPNXSA-N. The full InChI is InChI=1S/C19H22O/c1-11-9-13(3)16-14-8-7-12(2)17(19(4,5)6)18(14)20-15(16)10-11/h7-10H,1-6H3/i1D3.
What are the key properties of 6-tert-butyl-1,7-dimethyl-3-(trideuteriomethyl)dibenzofuran?
6-tert-butyl-1,7-dimethyl-3-(trideuteriomethyl)dibenzofuran has a molecular weight of 269.40 g/mol, XLogP of 5.81, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-1,7-dimethyl-3-(trideuteriomethyl)dibenzofuran is sourced from PubChem (CID 160733628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).