1,2-ditert-butyl-3-methylcyclopropane;tungsten

C12H23W- — CID 59770052

IUPAC1,2-ditert-butyl-3-methylcyclopropane;tungsten
SMILESC[C-]1C(C(C)(C)C)C1C(C)(C)C.[W]
InChIInChI=1S/C12H23.W/c1-8-9(11(2,3)4)10(8)12(5,6)7;/h9-10H,1-7H3;/q-1;
InChIKeyYZWCWFBVCDTTFZ-UHFFFAOYSA-N
MW351.16 g/mol
LogP3.92
Rot. Bonds

About 1,2-ditert-butyl-3-methylcyclopropane;tungsten

1,2-ditert-butyl-3-methylcyclopropane;tungsten (PubChem CID 59770052) has the molecular formula C12H23W- and a molecular weight of 351.16 g/mol. Its IUPAC name is 1,2-ditert-butyl-3-methylcyclopropane;tungsten.

Molecular Properties

Compound Name1,2-ditert-butyl-3-methylcyclopropane;tungsten
PubChem CID59770052
Molecular FormulaC12H23W-
Molecular Weight351.16 g/mol
Exact Mass351.13
IUPAC Name1,2-ditert-butyl-3-methylcyclopropane;tungsten
SMILESC[C-]1C(C(C)(C)C)C1C(C)(C)C.[W]
InChIInChI=1S/C12H23.W/c1-8-9(11(2,3)4)10(8)12(5,6)7;/h9-10H,1-7H3;/q-1;
InChIKeyYZWCWFBVCDTTFZ-UHFFFAOYSA-N
XLogP3.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.16
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

1,2,3,4-tetratert-butylcyclobutane
CID 164732302
3,6-ditert-butylcyclohexa-1,4-diene
CID 13283199
chloromethane;silane
CID 174740640
carbanide;2-methylpropan-2-ol;tungsten
CID 58800760
tert-butylazanide;silane;titanium
CID 173258856
CID 155725555
CID 155725555
1-tert-butyl-1-deuteriocyclopropane
CID 12714131
4,5-ditert-butyltriazolidine
CID 140612842
7-tert-butylbicyclo[2.2.1]hepta-2,5-diene
CID 15153947
chloromethane;2,2-dimethylpropane
CID 142899692
6-tert-butyl-3-methyl-1,2,4,5-trithiazinane
CID 139378377
(4-tert-butylcyclohexylidene)methanone
CID 134893042

Frequently Asked Questions

What is the IUPAC name of 1,2-ditert-butyl-3-methylcyclopropane;tungsten?
The IUPAC name of 1,2-ditert-butyl-3-methylcyclopropane;tungsten (CID 59770052) is 1,2-ditert-butyl-3-methylcyclopropane;tungsten.
What is the SMILES notation for 1,2-ditert-butyl-3-methylcyclopropane;tungsten?
The canonical SMILES for 1,2-ditert-butyl-3-methylcyclopropane;tungsten is C[C-]1C(C(C)(C)C)C1C(C)(C)C.[W].
What is the InChIKey of 1,2-ditert-butyl-3-methylcyclopropane;tungsten?
The InChIKey is YZWCWFBVCDTTFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23.W/c1-8-9(11(2,3)4)10(8)12(5,6)7;/h9-10H,1-7H3;/q-1;.
What are the key properties of 1,2-ditert-butyl-3-methylcyclopropane;tungsten?
1,2-ditert-butyl-3-methylcyclopropane;tungsten has a molecular weight of 351.16 g/mol, XLogP of 3.92, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-ditert-butyl-3-methylcyclopropane;tungsten is sourced from PubChem (CID 59770052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).