zinc bis((1S,5S)-2-methanidyl-6,6-dimethylbicyclo[3.1.1]heptane)

C20H34Zn — CID 24943249

IUPACzinc bis((1S,5S)-2-methanidyl-6,6-dimethylbicyclo[3.1.1]heptane)
SMILES[CH2-]C1CC[C@H]2C[C@@H]1C2(C)C.[CH2-]C1CC[C@H]2C[C@@H]1C2(C)C.[Zn+2]
InChIInChI=1S/2C10H17.Zn/c2*1-7-4-5-8-6-9(7)10(8,2)3;/h2*7-9H,1,4-6H2,2-3H3;/q2*-1;+2/t2*7?,8-,9-;/m00./s1
InChIKeyGYNYTNQHDALRFQ-UCZLTAMWSA-N
MW339.88 g/mol
LogP5.78
Rot. Bonds

About zinc bis((1S,5S)-2-methanidyl-6,6-dimethylbicyclo[3.1.1]heptane)

zinc bis((1S,5S)-2-methanidyl-6,6-dimethylbicyclo[3.1.1]heptane) (PubChem CID 24943249) has the molecular formula C20H34Zn and a molecular weight of 339.88 g/mol. Its IUPAC name is zinc bis((1S,5S)-2-methanidyl-6,6-dimethylbicyclo[3.1.1]heptane).

Molecular Properties

Compound Namezinc bis((1S,5S)-2-methanidyl-6,6-dimethylbicyclo[3.1.1]heptane)
PubChem CID24943249
Molecular FormulaC20H34Zn
Molecular Weight339.88 g/mol
Exact Mass338.20
IUPAC Namezinc bis((1S,5S)-2-methanidyl-6,6-dimethylbicyclo[3.1.1]heptane)
SMILES[CH2-]C1CC[C@H]2C[C@@H]1C2(C)C.[CH2-]C1CC[C@H]2C[C@@H]1C2(C)C.[Zn+2]
InChIInChI=1S/2C10H17.Zn/c2*1-7-4-5-8-6-9(7)10(8,2)3;/h2*7-9H,1,4-6H2,2-3H3;/q2*-1;+2/t2*7?,8-,9-;/m00./s1
InChIKeyGYNYTNQHDALRFQ-UCZLTAMWSA-N
XLogP5.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.88
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

zinc bis(2-methanidyl-6,6-dimethylbicyclo[3.1.1]heptane)
CID 19695024
(1R,2S,5R)-2-methanidyl-6,6-dimethylbicyclo[3.1.1]heptane;zinc
CID 134864548
azane;(5R)-2,6,6-trimethylbicyclo[3.1.1]heptane
CID 143055597
(1S,2S,5S)-2,6,6-trimethylbicyclo[3.1.1]heptane
CID 6429433
ethane;(1R,2R,5R)-2,6,6-trimethylbicyclo[3.1.1]heptane
CID 142979197
(1R,2R,5S)-6,6-dimethylbicyclo[3.1.1]heptan-2-ol
CID 11263535
ethane;(2R,5R)-2,6,6-trimethylbicyclo[3.1.1]heptane
CID 142979252
(1R,5S)-6,6-dimethylbicyclo[3.1.1]heptane-2-sulfonyl chloride
CID 170898907
(1S,2R,5S)-6,6-dimethyl-2-propan-2-ylbicyclo[3.1.1]heptane;sulfane
CID 157194003
[(2S,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methanol
CID 140535687
[(1S,2S,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methanamine
CID 12732836
[(1R,5R)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methanol
CID 59952674

Frequently Asked Questions

What is the IUPAC name of zinc bis((1S,5S)-2-methanidyl-6,6-dimethylbicyclo[3.1.1]heptane)?
The IUPAC name of zinc bis((1S,5S)-2-methanidyl-6,6-dimethylbicyclo[3.1.1]heptane) (CID 24943249) is zinc bis((1S,5S)-2-methanidyl-6,6-dimethylbicyclo[3.1.1]heptane).
What is the SMILES notation for zinc bis((1S,5S)-2-methanidyl-6,6-dimethylbicyclo[3.1.1]heptane)?
The canonical SMILES for zinc bis((1S,5S)-2-methanidyl-6,6-dimethylbicyclo[3.1.1]heptane) is [CH2-]C1CC[C@H]2C[C@@H]1C2(C)C.[CH2-]C1CC[C@H]2C[C@@H]1C2(C)C.[Zn+2].
What is the InChIKey of zinc bis((1S,5S)-2-methanidyl-6,6-dimethylbicyclo[3.1.1]heptane)?
The InChIKey is GYNYTNQHDALRFQ-UCZLTAMWSA-N. The full InChI is InChI=1S/2C10H17.Zn/c2*1-7-4-5-8-6-9(7)10(8,2)3;/h2*7-9H,1,4-6H2,2-3H3;/q2*-1;+2/t2*7?,8-,9-;/m00./s1.
What are the key properties of zinc bis((1S,5S)-2-methanidyl-6,6-dimethylbicyclo[3.1.1]heptane)?
zinc bis((1S,5S)-2-methanidyl-6,6-dimethylbicyclo[3.1.1]heptane) has a molecular weight of 339.88 g/mol, XLogP of 5.78, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for zinc bis((1S,5S)-2-methanidyl-6,6-dimethylbicyclo[3.1.1]heptane) is sourced from PubChem (CID 24943249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).