1-cyclohexyl-4-methanidylcyclohexane;yttrium(3+)

C13H23Y+2 — CID 20743099

IUPAC1-cyclohexyl-4-methanidylcyclohexane;yttrium(3+)
SMILES[CH2-]C1CCC(C2CCCCC2)CC1.[Y+3]
InChIInChI=1S/C13H23.Y/c1-11-7-9-13(10-8-11)12-5-3-2-4-6-12;/h11-13H,1-10H2;/q-1;+3
InChIKeySGSBEUVVBQFTBW-UHFFFAOYSA-N
MW268.23 g/mol
LogP4.20
Rot. Bonds1

About 1-cyclohexyl-4-methanidylcyclohexane;yttrium(3+)

1-cyclohexyl-4-methanidylcyclohexane;yttrium(3+) (PubChem CID 20743099) has the molecular formula C13H23Y+2 and a molecular weight of 268.23 g/mol. Its IUPAC name is 1-cyclohexyl-4-methanidylcyclohexane;yttrium(3+).

Molecular Properties

Compound Name1-cyclohexyl-4-methanidylcyclohexane;yttrium(3+)
PubChem CID20743099
Molecular FormulaC13H23Y+2
Molecular Weight268.23 g/mol
Exact Mass268.08
IUPAC Name1-cyclohexyl-4-methanidylcyclohexane;yttrium(3+)
SMILES[CH2-]C1CCC(C2CCCCC2)CC1.[Y+3]
InChIInChI=1S/C13H23.Y/c1-11-7-9-13(10-8-11)12-5-3-2-4-6-12;/h11-13H,1-10H2;/q-1;+3
InChIKeySGSBEUVVBQFTBW-UHFFFAOYSA-N
XLogP4.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.23
LogP ≤ 54.20
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-cyclohexyl-4-[4-[4-[4-[4-(4-cyclohexylcyclohexyl)cyclohexyl]cyclohexyl]cyclohexyl]cyclohexyl]cyclohexane
CID 123286414
tricyclo[11.9.0.05,8]docosane
CID 123241919
pentacyclo[23.18.0.05,21.08,16.029,41]tritetracontane
CID 123459742
hexacyclo[23.22.0.05,20.08,15.028,44.032,40]heptatetracontane
CID 123895586
(4aR)-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-benzo[7]annulene
CID 58427678
cyclohexylcycloheptane
CID 524589
cyclononylcycloicosane
CID 123187062
methanidylcyclohexane;zinc
CID 140561635
lithium methanidylcyclohexane
CID 11062324
1,2,3,3a,4,5,6,7,8,9,10,10a-dodecahydrocyclopenta[9]annulene
CID 58552309
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;2,3,3a,4,5,6,7,7a-octahydro-1H-indene;1,2,3,3a,4,5,6,6a-octahydropentalene;cyclobutane;cycloheptane;cyclohexane;cyclooctane;cyclopentane;cyclopropane
CID 158726060
(3aR,12aR)-1,2,3,3a,4,5,6,7,8,9,10,11,12,12a-tetradecahydrocyclopenta[11]annulene
CID 14112261

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-4-methanidylcyclohexane;yttrium(3+)?
The IUPAC name of 1-cyclohexyl-4-methanidylcyclohexane;yttrium(3+) (CID 20743099) is 1-cyclohexyl-4-methanidylcyclohexane;yttrium(3+).
What is the SMILES notation for 1-cyclohexyl-4-methanidylcyclohexane;yttrium(3+)?
The canonical SMILES for 1-cyclohexyl-4-methanidylcyclohexane;yttrium(3+) is [CH2-]C1CCC(C2CCCCC2)CC1.[Y+3].
What is the InChIKey of 1-cyclohexyl-4-methanidylcyclohexane;yttrium(3+)?
The InChIKey is SGSBEUVVBQFTBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23.Y/c1-11-7-9-13(10-8-11)12-5-3-2-4-6-12;/h11-13H,1-10H2;/q-1;+3.
What are the key properties of 1-cyclohexyl-4-methanidylcyclohexane;yttrium(3+)?
1-cyclohexyl-4-methanidylcyclohexane;yttrium(3+) has a molecular weight of 268.23 g/mol, XLogP of 4.20, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-4-methanidylcyclohexane;yttrium(3+) is sourced from PubChem (CID 20743099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).