(4-methylcyclohexyl)benzene;yttrium(3+)

C13H17Y+2 — CID 18720907

IUPAC(4-methylcyclohexyl)benzene;yttrium(3+)
SMILESCC1CCC(c2cc[c-]cc2)CC1.[Y+3]
InChIInChI=1S/C13H17.Y/c1-11-7-9-13(10-8-11)12-5-3-2-4-6-12;/h3-6,11,13H,7-10H2,1H3;/q-1;+3
InChIKeyUAWQUGVDYLQRDJ-UHFFFAOYSA-N
MW262.18 g/mol
LogP3.78
Rot. Bonds1

About (4-methylcyclohexyl)benzene;yttrium(3+)

(4-methylcyclohexyl)benzene;yttrium(3+) (PubChem CID 18720907) has the molecular formula C13H17Y+2 and a molecular weight of 262.18 g/mol. Its IUPAC name is (4-methylcyclohexyl)benzene;yttrium(3+).

Molecular Properties

Compound Name(4-methylcyclohexyl)benzene;yttrium(3+)
PubChem CID18720907
Molecular FormulaC13H17Y+2
Molecular Weight262.18 g/mol
Exact Mass262.04
IUPAC Name(4-methylcyclohexyl)benzene;yttrium(3+)
SMILESCC1CCC(c2cc[c-]cc2)CC1.[Y+3]
InChIInChI=1S/C13H17.Y/c1-11-7-9-13(10-8-11)12-5-3-2-4-6-12;/h3-6,11,13H,7-10H2,1H3;/q-1;+3
InChIKeyUAWQUGVDYLQRDJ-UHFFFAOYSA-N
XLogP3.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.18
LogP ≤ 53.78
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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Frequently Asked Questions

What is the IUPAC name of (4-methylcyclohexyl)benzene;yttrium(3+)?
The IUPAC name of (4-methylcyclohexyl)benzene;yttrium(3+) (CID 18720907) is (4-methylcyclohexyl)benzene;yttrium(3+).
What is the SMILES notation for (4-methylcyclohexyl)benzene;yttrium(3+)?
The canonical SMILES for (4-methylcyclohexyl)benzene;yttrium(3+) is CC1CCC(c2cc[c-]cc2)CC1.[Y+3].
What is the InChIKey of (4-methylcyclohexyl)benzene;yttrium(3+)?
The InChIKey is UAWQUGVDYLQRDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17.Y/c1-11-7-9-13(10-8-11)12-5-3-2-4-6-12;/h3-6,11,13H,7-10H2,1H3;/q-1;+3.
What are the key properties of (4-methylcyclohexyl)benzene;yttrium(3+)?
(4-methylcyclohexyl)benzene;yttrium(3+) has a molecular weight of 262.18 g/mol, XLogP of 3.78, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylcyclohexyl)benzene;yttrium(3+) is sourced from PubChem (CID 18720907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).