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

C10H17Zn- — CID 134864548

IUPAC(1R,2S,5R)-2-methanidyl-6,6-dimethylbicyclo[3.1.1]heptane;zinc
SMILES[CH2-][C@H]1CC[C@@H]2C[C@H]1C2(C)C.[Zn]
InChIInChI=1S/C10H17.Zn/c1-7-4-5-8-6-9(7)10(8,2)3;/h7-9H,1,4-6H2,2-3H3;/q-1;/t7-,8+,9+;/m0./s1
InChIKeyNPWBFNVKUAWDNT-FZRXOQNUSA-N
MW202.64 g/mol
LogP2.89
Rot. Bonds

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

(1R,2S,5R)-2-methanidyl-6,6-dimethylbicyclo[3.1.1]heptane;zinc (PubChem CID 134864548) has the molecular formula C10H17Zn- and a molecular weight of 202.64 g/mol. Its IUPAC name is (1R,2S,5R)-2-methanidyl-6,6-dimethylbicyclo[3.1.1]heptane;zinc.

Molecular Properties

Compound Name(1R,2S,5R)-2-methanidyl-6,6-dimethylbicyclo[3.1.1]heptane;zinc
PubChem CID134864548
Molecular FormulaC10H17Zn-
Molecular Weight202.64 g/mol
Exact Mass201.06
IUPAC Name(1R,2S,5R)-2-methanidyl-6,6-dimethylbicyclo[3.1.1]heptane;zinc
SMILES[CH2-][C@H]1CC[C@@H]2C[C@H]1C2(C)C.[Zn]
InChIInChI=1S/C10H17.Zn/c1-7-4-5-8-6-9(7)10(8,2)3;/h7-9H,1,4-6H2,2-3H3;/q-1;/t7-,8+,9+;/m0./s1
InChIKeyNPWBFNVKUAWDNT-FZRXOQNUSA-N
XLogP2.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.64
LogP ≤ 52.89
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
zinc bis((1S,5S)-2-methanidyl-6,6-dimethylbicyclo[3.1.1]heptane)
CID 24943249
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 (1R,2S,5R)-2-methanidyl-6,6-dimethylbicyclo[3.1.1]heptane;zinc?
The IUPAC name of (1R,2S,5R)-2-methanidyl-6,6-dimethylbicyclo[3.1.1]heptane;zinc (CID 134864548) is (1R,2S,5R)-2-methanidyl-6,6-dimethylbicyclo[3.1.1]heptane;zinc.
What is the SMILES notation for (1R,2S,5R)-2-methanidyl-6,6-dimethylbicyclo[3.1.1]heptane;zinc?
The canonical SMILES for (1R,2S,5R)-2-methanidyl-6,6-dimethylbicyclo[3.1.1]heptane;zinc is [CH2-][C@H]1CC[C@@H]2C[C@H]1C2(C)C.[Zn].
What is the InChIKey of (1R,2S,5R)-2-methanidyl-6,6-dimethylbicyclo[3.1.1]heptane;zinc?
The InChIKey is NPWBFNVKUAWDNT-FZRXOQNUSA-N. The full InChI is InChI=1S/C10H17.Zn/c1-7-4-5-8-6-9(7)10(8,2)3;/h7-9H,1,4-6H2,2-3H3;/q-1;/t7-,8+,9+;/m0./s1.
What are the key properties of (1R,2S,5R)-2-methanidyl-6,6-dimethylbicyclo[3.1.1]heptane;zinc?
(1R,2S,5R)-2-methanidyl-6,6-dimethylbicyclo[3.1.1]heptane;zinc has a molecular weight of 202.64 g/mol, XLogP of 2.89, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,5R)-2-methanidyl-6,6-dimethylbicyclo[3.1.1]heptane;zinc is sourced from PubChem (CID 134864548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).