1-[(4-ethylcyclohexyl)methyl]-4-[(4-methanidylcyclohexyl)methyl]benzene;bis(yttrium)

C23H35Y2- — CID 59501817

IUPAC1-[(4-ethylcyclohexyl)methyl]-4-[(4-methanidylcyclohexyl)methyl]benzene;bis(yttrium)
SMILES[CH2-]C1CCC(Cc2ccc(CC3CCC(CC)CC3)cc2)CC1.[Y].[Y]
InChIInChI=1S/C23H35.2Y/c1-3-19-8-10-21(11-9-19)17-23-14-12-22(13-15-23)16-20-6-4-18(2)5-7-20;;/h12-15,18-21H,2-11,16-17H2,1H3;;/q-1;;
InChIKeyRDWKRDPPHNTBMS-UHFFFAOYSA-N
MW489.35 g/mol
LogP6.62
Rot. Bonds5

About 1-[(4-ethylcyclohexyl)methyl]-4-[(4-methanidylcyclohexyl)methyl]benzene;bis(yttrium)

1-[(4-ethylcyclohexyl)methyl]-4-[(4-methanidylcyclohexyl)methyl]benzene;bis(yttrium) (PubChem CID 59501817) has the molecular formula C23H35Y2- and a molecular weight of 489.35 g/mol. Its IUPAC name is 1-[(4-ethylcyclohexyl)methyl]-4-[(4-methanidylcyclohexyl)methyl]benzene;bis(yttrium).

Molecular Properties

Compound Name1-[(4-ethylcyclohexyl)methyl]-4-[(4-methanidylcyclohexyl)methyl]benzene;bis(yttrium)
PubChem CID59501817
Molecular FormulaC23H35Y2-
Molecular Weight489.35 g/mol
Exact Mass489.09
IUPAC Name1-[(4-ethylcyclohexyl)methyl]-4-[(4-methanidylcyclohexyl)methyl]benzene;bis(yttrium)
SMILES[CH2-]C1CCC(Cc2ccc(CC3CCC(CC)CC3)cc2)CC1.[Y].[Y]
InChIInChI=1S/C23H35.2Y/c1-3-19-8-10-21(11-9-19)17-23-14-12-22(13-15-23)16-20-6-4-18(2)5-7-20;;/h12-15,18-21H,2-11,16-17H2,1H3;;/q-1;;
InChIKeyRDWKRDPPHNTBMS-UHFFFAOYSA-N
XLogP6.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.35
LogP ≤ 56.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-[(4-ethylcyclohexyl)methyl]-4-[(4-methanidylcyclohexyl)methyl]benzene;bis(yttrium) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(4-ethylcyclohexyl)methyl]-4-[(4-methanidylcyclohexyl)methyl]benzene;bis(yttrium)?
The IUPAC name of 1-[(4-ethylcyclohexyl)methyl]-4-[(4-methanidylcyclohexyl)methyl]benzene;bis(yttrium) (CID 59501817) is 1-[(4-ethylcyclohexyl)methyl]-4-[(4-methanidylcyclohexyl)methyl]benzene;bis(yttrium).
What is the SMILES notation for 1-[(4-ethylcyclohexyl)methyl]-4-[(4-methanidylcyclohexyl)methyl]benzene;bis(yttrium)?
The canonical SMILES for 1-[(4-ethylcyclohexyl)methyl]-4-[(4-methanidylcyclohexyl)methyl]benzene;bis(yttrium) is [CH2-]C1CCC(Cc2ccc(CC3CCC(CC)CC3)cc2)CC1.[Y].[Y].
What is the InChIKey of 1-[(4-ethylcyclohexyl)methyl]-4-[(4-methanidylcyclohexyl)methyl]benzene;bis(yttrium)?
The InChIKey is RDWKRDPPHNTBMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35.2Y/c1-3-19-8-10-21(11-9-19)17-23-14-12-22(13-15-23)16-20-6-4-18(2)5-7-20;;/h12-15,18-21H,2-11,16-17H2,1H3;;/q-1;;.
What are the key properties of 1-[(4-ethylcyclohexyl)methyl]-4-[(4-methanidylcyclohexyl)methyl]benzene;bis(yttrium)?
1-[(4-ethylcyclohexyl)methyl]-4-[(4-methanidylcyclohexyl)methyl]benzene;bis(yttrium) has a molecular weight of 489.35 g/mol, XLogP of 6.62, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-ethylcyclohexyl)methyl]-4-[(4-methanidylcyclohexyl)methyl]benzene;bis(yttrium) is sourced from PubChem (CID 59501817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).