calcium methanidylcyclopentane

C6H10Ca — CID 58794036

IUPACcalcium methanidylcyclopentane
SMILES[CH2-][C@@H]1C[CH-]CC1.[Ca+2]
InChIInChI=1S/C6H10.Ca/c1-6-4-2-3-5-6;/h2,6H,1,3-5H2;/q-2;+2/t6-;/m1./s1
InChIKeyISYMWIIEALDXKY-FYZOBXCZSA-N
MW122.22 g/mol
LogP1.44
Rot. Bonds

About calcium methanidylcyclopentane

calcium methanidylcyclopentane (PubChem CID 58794036) has the molecular formula C6H10Ca and a molecular weight of 122.22 g/mol. Its IUPAC name is calcium methanidylcyclopentane.

Molecular Properties

Compound Namecalcium methanidylcyclopentane
PubChem CID58794036
Molecular FormulaC6H10Ca
Molecular Weight122.22 g/mol
Exact Mass122.04
IUPAC Namecalcium methanidylcyclopentane
SMILES[CH2-][C@@H]1C[CH-]CC1.[Ca+2]
InChIInChI=1S/C6H10.Ca/c1-6-4-2-3-5-6;/h2,6H,1,3-5H2;/q-2;+2/t6-;/m1./s1
InChIKeyISYMWIIEALDXKY-FYZOBXCZSA-N
XLogP1.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.22
LogP ≤ 51.44
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

magnesium;methylcyclopentane;bromide
CID 20561687
1,2-dimethylcyclohexane;yttrium
CID 59098035
zinc methanidylcyclopropane
CID 142531158
lawrencium;propan-2-ylcyclopentane
CID 177328066
1-chloroethenylcyclopentane;tungsten
CID 58696112
1,4-dimethanidylcyclohexane;tungsten;vanadium
CID 172528900
methanidylcyclopentane
CID 91330716
methylcyclohexane;rhenium
CID 164573339
methanidylcyclopentane;vanadium
CID 150751230
propan-2-ylcyclohexane
CID 140720710
bromozinc(1+);methylcyclohexane
CID 133144590
methanidylcyclohexane;zinc
CID 140561635

Frequently Asked Questions

What is the IUPAC name of calcium methanidylcyclopentane?
The IUPAC name of calcium methanidylcyclopentane (CID 58794036) is calcium methanidylcyclopentane.
What is the SMILES notation for calcium methanidylcyclopentane?
The canonical SMILES for calcium methanidylcyclopentane is [CH2-][C@@H]1C[CH-]CC1.[Ca+2].
What is the InChIKey of calcium methanidylcyclopentane?
The InChIKey is ISYMWIIEALDXKY-FYZOBXCZSA-N. The full InChI is InChI=1S/C6H10.Ca/c1-6-4-2-3-5-6;/h2,6H,1,3-5H2;/q-2;+2/t6-;/m1./s1.
What are the key properties of calcium methanidylcyclopentane?
calcium methanidylcyclopentane has a molecular weight of 122.22 g/mol, XLogP of 1.44, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for calcium methanidylcyclopentane is sourced from PubChem (CID 58794036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).