1,2,3,4,5,5,6-heptamethylcyclohexa-1,3-diene;yttrium

C13H21Y- — CID 149084654

IUPAC1,2,3,4,5,5,6-heptamethylcyclohexa-1,3-diene;yttrium
SMILESCC1=C(C)[C-](C)C(C)(C)C(C)=C1C.[Y]
InChIInChI=1S/C13H21.Y/c1-8-9(2)11(4)13(6,7)12(5)10(8)3;/h1-7H3;/q-1;
InChIKeyACXGISOAISSBBX-UHFFFAOYSA-N
MW266.22 g/mol
LogP4.29
Rot. Bonds

About 1,2,3,4,5,5,6-heptamethylcyclohexa-1,3-diene;yttrium

1,2,3,4,5,5,6-heptamethylcyclohexa-1,3-diene;yttrium (PubChem CID 149084654) has the molecular formula C13H21Y- and a molecular weight of 266.22 g/mol. Its IUPAC name is 1,2,3,4,5,5,6-heptamethylcyclohexa-1,3-diene;yttrium.

Molecular Properties

Compound Name1,2,3,4,5,5,6-heptamethylcyclohexa-1,3-diene;yttrium
PubChem CID149084654
Molecular FormulaC13H21Y-
Molecular Weight266.22 g/mol
Exact Mass266.07
IUPAC Name1,2,3,4,5,5,6-heptamethylcyclohexa-1,3-diene;yttrium
SMILESCC1=C(C)[C-](C)C(C)(C)C(C)=C1C.[Y]
InChIInChI=1S/C13H21.Y/c1-8-9(2)11(4)13(6,7)12(5)10(8)3;/h1-7H3;/q-1;
InChIKeyACXGISOAISSBBX-UHFFFAOYSA-N
XLogP4.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.22
LogP ≤ 54.29
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 1,2,3,4,5,5,6-heptamethylcyclohexa-1,3-diene;yttrium?
The IUPAC name of 1,2,3,4,5,5,6-heptamethylcyclohexa-1,3-diene;yttrium (CID 149084654) is 1,2,3,4,5,5,6-heptamethylcyclohexa-1,3-diene;yttrium.
What is the SMILES notation for 1,2,3,4,5,5,6-heptamethylcyclohexa-1,3-diene;yttrium?
The canonical SMILES for 1,2,3,4,5,5,6-heptamethylcyclohexa-1,3-diene;yttrium is CC1=C(C)[C-](C)C(C)(C)C(C)=C1C.[Y].
What is the InChIKey of 1,2,3,4,5,5,6-heptamethylcyclohexa-1,3-diene;yttrium?
The InChIKey is ACXGISOAISSBBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21.Y/c1-8-9(2)11(4)13(6,7)12(5)10(8)3;/h1-7H3;/q-1;.
What are the key properties of 1,2,3,4,5,5,6-heptamethylcyclohexa-1,3-diene;yttrium?
1,2,3,4,5,5,6-heptamethylcyclohexa-1,3-diene;yttrium has a molecular weight of 266.22 g/mol, XLogP of 4.29, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5,5,6-heptamethylcyclohexa-1,3-diene;yttrium is sourced from PubChem (CID 149084654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).