1-methanidyl-2-propan-2-ylbenzene;yttrium

C10H13Y- — CID 58239452

IUPAC1-methanidyl-2-propan-2-ylbenzene;yttrium
SMILES[CH2-]c1ccccc1C(C)C.[Y]
InChIInChI=1S/C10H13.Y/c1-8(2)10-7-5-4-6-9(10)3;/h4-8H,3H2,1-2H3;/q-1;
InChIKeyXAEKNAZZXOKOFW-UHFFFAOYSA-N
MW222.12 g/mol
LogP2.99
Rot. Bonds1

About 1-methanidyl-2-propan-2-ylbenzene;yttrium

1-methanidyl-2-propan-2-ylbenzene;yttrium (PubChem CID 58239452) has the molecular formula C10H13Y- and a molecular weight of 222.12 g/mol. Its IUPAC name is 1-methanidyl-2-propan-2-ylbenzene;yttrium.

Molecular Properties

Compound Name1-methanidyl-2-propan-2-ylbenzene;yttrium
PubChem CID58239452
Molecular FormulaC10H13Y-
Molecular Weight222.12 g/mol
Exact Mass222.01
IUPAC Name1-methanidyl-2-propan-2-ylbenzene;yttrium
SMILES[CH2-]c1ccccc1C(C)C.[Y]
InChIInChI=1S/C10H13.Y/c1-8(2)10-7-5-4-6-9(10)3;/h4-8H,3H2,1-2H3;/q-1;
InChIKeyXAEKNAZZXOKOFW-UHFFFAOYSA-N
XLogP2.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.12
LogP ≤ 52.99
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

1,2-di(propan-2-yl)benzene;dihydrate
CID 70397314
tris(2-propan-2-ylphenyl)phosphane
CID 139152930
bis(2-propan-2-ylphenol);zirconium(2+);dichloride
CID 174391119
ethane;1-phenyl-2-propan-2-ylbenzene
CID 161308506
aziridine;1,2-di(propan-2-yl)benzene
CID 88841585
bis([2,6-di(propan-2-yl)phenyl]azanium) dichloride
CID 139074965
1,2-di(propan-2-yl)benzene;1-sulfanylethanol
CID 174932639
1-(difluoromethyl)-2-propan-2-ylbenzene
CID 58978051
bis[2,6-di(propan-2-yl)phenyl]phosphanide
CID 139171604
1-[[bis(2-propan-2-ylphenyl)phosphanylamino]-(2-propan-2-ylphenyl)phosphanyl]-2-propan-2-ylbenzene
CID 87735371
calcium bis(2-propan-2-ylphenolate)
CID 21315928
1-propan-2-yl-2-[(2-propan-2-ylphenyl)methyl]benzene
CID 15068594

Frequently Asked Questions

What is the IUPAC name of 1-methanidyl-2-propan-2-ylbenzene;yttrium?
The IUPAC name of 1-methanidyl-2-propan-2-ylbenzene;yttrium (CID 58239452) is 1-methanidyl-2-propan-2-ylbenzene;yttrium.
What is the SMILES notation for 1-methanidyl-2-propan-2-ylbenzene;yttrium?
The canonical SMILES for 1-methanidyl-2-propan-2-ylbenzene;yttrium is [CH2-]c1ccccc1C(C)C.[Y].
What is the InChIKey of 1-methanidyl-2-propan-2-ylbenzene;yttrium?
The InChIKey is XAEKNAZZXOKOFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13.Y/c1-8(2)10-7-5-4-6-9(10)3;/h4-8H,3H2,1-2H3;/q-1;.
What are the key properties of 1-methanidyl-2-propan-2-ylbenzene;yttrium?
1-methanidyl-2-propan-2-ylbenzene;yttrium has a molecular weight of 222.12 g/mol, XLogP of 2.99, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methanidyl-2-propan-2-ylbenzene;yttrium is sourced from PubChem (CID 58239452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).