berkelium;methylbenzene;1,4-xylene

C15H17Bk- — CID 160800494

IUPACberkelium;methylbenzene;1,4-xylene
SMILESCc1c[c-]ccc1.Cc1ccc(C)cc1.[Bk]
InChIInChI=1S/C8H10.C7H7.Bk/c1-7-3-5-8(2)6-4-7;1-7-5-3-2-4-6-7;/h3-6H,1-2H3;2-3,5-6H,1H3;/q;-1;
InChIKeyVGGMMZCGYTWSBG-UHFFFAOYSA-N
MW444.30 g/mol
LogP4.10
Rot. Bonds

About berkelium;methylbenzene;1,4-xylene

berkelium;methylbenzene;1,4-xylene (PubChem CID 160800494) has the molecular formula C15H17Bk- and a molecular weight of 444.30 g/mol. Its IUPAC name is berkelium;methylbenzene;1,4-xylene.

Molecular Properties

Compound Nameberkelium;methylbenzene;1,4-xylene
PubChem CID160800494
Molecular FormulaC15H17Bk-
Molecular Weight444.30 g/mol
Exact Mass444.20
IUPAC Nameberkelium;methylbenzene;1,4-xylene
SMILESCc1c[c-]ccc1.Cc1ccc(C)cc1.[Bk]
InChIInChI=1S/C8H10.C7H7.Bk/c1-7-3-5-8(2)6-4-7;1-7-5-3-2-4-6-7;/h3-6H,1-2H3;2-3,5-6H,1H3;/q;-1;
InChIKeyVGGMMZCGYTWSBG-UHFFFAOYSA-N
XLogP4.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.30
LogP ≤ 54.10
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

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CID 91655477
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Frequently Asked Questions

What is the IUPAC name of berkelium;methylbenzene;1,4-xylene?
The IUPAC name of berkelium;methylbenzene;1,4-xylene (CID 160800494) is berkelium;methylbenzene;1,4-xylene.
What is the SMILES notation for berkelium;methylbenzene;1,4-xylene?
The canonical SMILES for berkelium;methylbenzene;1,4-xylene is Cc1c[c-]ccc1.Cc1ccc(C)cc1.[Bk].
What is the InChIKey of berkelium;methylbenzene;1,4-xylene?
The InChIKey is VGGMMZCGYTWSBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10.C7H7.Bk/c1-7-3-5-8(2)6-4-7;1-7-5-3-2-4-6-7;/h3-6H,1-2H3;2-3,5-6H,1H3;/q;-1;.
What are the key properties of berkelium;methylbenzene;1,4-xylene?
berkelium;methylbenzene;1,4-xylene has a molecular weight of 444.30 g/mol, XLogP of 4.10, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for berkelium;methylbenzene;1,4-xylene is sourced from PubChem (CID 160800494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).