1-tert-butyl-2-methyl-3-propan-2-ylbenzene;ethane;uranium;dihydrofluoride

C16H30F2U — CID 177342998

IUPAC1-tert-butyl-2-methyl-3-propan-2-ylbenzene;ethane;uranium;dihydrofluoride
SMILESCC.Cc1c(C(C)C)cccc1C(C)(C)C.F.F.[U]
InChIInChI=1S/C14H22.C2H6.2FH.U/c1-10(2)12-8-7-9-13(11(12)3)14(4,5)6;1-2;;;/h7-10H,1-6H3;1-2H3;2*1H;
InChIKeyKDANIPCGZWOIDJ-UHFFFAOYSA-N
MW498.44 g/mol
LogP5.75
Rot. Bonds1

About 1-tert-butyl-2-methyl-3-propan-2-ylbenzene;ethane;uranium;dihydrofluoride

1-tert-butyl-2-methyl-3-propan-2-ylbenzene;ethane;uranium;dihydrofluoride (PubChem CID 177342998) has the molecular formula C16H30F2U and a molecular weight of 498.44 g/mol. Its IUPAC name is 1-tert-butyl-2-methyl-3-propan-2-ylbenzene;ethane;uranium;dihydrofluoride.

Molecular Properties

Compound Name1-tert-butyl-2-methyl-3-propan-2-ylbenzene;ethane;uranium;dihydrofluoride
PubChem CID177342998
Molecular FormulaC16H30F2U
Molecular Weight498.44 g/mol
Exact Mass498.28
IUPAC Name1-tert-butyl-2-methyl-3-propan-2-ylbenzene;ethane;uranium;dihydrofluoride
SMILESCC.Cc1c(C(C)C)cccc1C(C)(C)C.F.F.[U]
InChIInChI=1S/C14H22.C2H6.2FH.U/c1-10(2)12-8-7-9-13(11(12)3)14(4,5)6;1-2;;;/h7-10H,1-6H3;1-2H3;2*1H;
InChIKeyKDANIPCGZWOIDJ-UHFFFAOYSA-N
XLogP5.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.44
LogP ≤ 55.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-tert-butyl-2,3-di(propan-2-yl)benzene
CID 58827360
2-tert-butyl-6-propan-2-ylbenzenethiol
CID 175036123
1-tert-butyl-2-methoxy-3-propan-2-ylbenzene
CID 58817173
ethene;methane;2-methyl-1,3-di(propan-2-yl)benzene
CID 142526423
2-tert-butyl-6-[[2,6-di(propan-2-yl)anilino]methyl]phenol
CID 174772917
1,2-dimethyl-3-propan-2-ylbenzene;N-methylmethanamine
CID 143062777
1-tert-butyl-2-(2-tert-butyl-6-methylphenyl)-3-methylbenzene;ethane
CID 157489586
1-(2-tert-butylphenyl)-1-(2,3-dimethylphenyl)-N-methylmethanamine
CID 115850587
2-tert-butyl-6-[1-(2-methylphenyl)ethyl]phenol
CID 22216123
N-(2-tert-butyl-6-propan-2-ylphenyl)-1-[6-[N-(2-tert-butyl-6-propan-2-ylphenyl)-C-phenylcarbonimidoyl]-2-pyridinyl]-1-phenylmethanimine
CID 90442403
1,4-ditert-butyl-2-[4-(2-tert-butyl-6-propan-2-ylphenyl)-2,3-dimethylbuta-1,3-dienyl]benzene
CID 58608809
1-tert-butyl-3-methylbenzene;1-tert-butyl-4-methylbenzene;1,3-ditert-butyl-2-methylbenzene;1,3-ditert-butyl-5-methylbenzene;1-methyl-3,5-di(propan-2-yl)benzene;2-methyl-1,3-di(propan-2-yl)benzene;1,2,3,5-tetramethylbenzene;1,2,3-trimethylbenzene;1,3,5-trimethylbenzene
CID 161417547

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2-methyl-3-propan-2-ylbenzene;ethane;uranium;dihydrofluoride?
The IUPAC name of 1-tert-butyl-2-methyl-3-propan-2-ylbenzene;ethane;uranium;dihydrofluoride (CID 177342998) is 1-tert-butyl-2-methyl-3-propan-2-ylbenzene;ethane;uranium;dihydrofluoride.
What is the SMILES notation for 1-tert-butyl-2-methyl-3-propan-2-ylbenzene;ethane;uranium;dihydrofluoride?
The canonical SMILES for 1-tert-butyl-2-methyl-3-propan-2-ylbenzene;ethane;uranium;dihydrofluoride is CC.Cc1c(C(C)C)cccc1C(C)(C)C.F.F.[U].
What is the InChIKey of 1-tert-butyl-2-methyl-3-propan-2-ylbenzene;ethane;uranium;dihydrofluoride?
The InChIKey is KDANIPCGZWOIDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22.C2H6.2FH.U/c1-10(2)12-8-7-9-13(11(12)3)14(4,5)6;1-2;;;/h7-10H,1-6H3;1-2H3;2*1H;.
What are the key properties of 1-tert-butyl-2-methyl-3-propan-2-ylbenzene;ethane;uranium;dihydrofluoride?
1-tert-butyl-2-methyl-3-propan-2-ylbenzene;ethane;uranium;dihydrofluoride has a molecular weight of 498.44 g/mol, XLogP of 5.75, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2-methyl-3-propan-2-ylbenzene;ethane;uranium;dihydrofluoride is sourced from PubChem (CID 177342998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).