2-methylbutylbenzene;tungsten

C11H15W- — CID 58566927

IUPAC2-methylbutylbenzene;tungsten
SMILESCC[C-](C)Cc1ccccc1.[W]
InChIInChI=1S/C11H15.W/c1-3-10(2)9-11-7-5-4-6-8-11;/h4-8H,3,9H2,1-2H3;/q-1;
InChIKeyBUYMOZWEOHNLMK-UHFFFAOYSA-N
MW331.08 g/mol
LogP3.23
Rot. Bonds3

About 2-methylbutylbenzene;tungsten

2-methylbutylbenzene;tungsten (PubChem CID 58566927) has the molecular formula C11H15W- and a molecular weight of 331.08 g/mol. Its IUPAC name is 2-methylbutylbenzene;tungsten.

Molecular Properties

Compound Name2-methylbutylbenzene;tungsten
PubChem CID58566927
Molecular FormulaC11H15W-
Molecular Weight331.08 g/mol
Exact Mass331.07
IUPAC Name2-methylbutylbenzene;tungsten
SMILESCC[C-](C)Cc1ccccc1.[W]
InChIInChI=1S/C11H15.W/c1-3-10(2)9-11-7-5-4-6-8-11;/h4-8H,3,9H2,1-2H3;/q-1;
InChIKeyBUYMOZWEOHNLMK-UHFFFAOYSA-N
XLogP3.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.08
LogP ≤ 53.23
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 2-methylbutylbenzene;tungsten?
The IUPAC name of 2-methylbutylbenzene;tungsten (CID 58566927) is 2-methylbutylbenzene;tungsten.
What is the SMILES notation for 2-methylbutylbenzene;tungsten?
The canonical SMILES for 2-methylbutylbenzene;tungsten is CC[C-](C)Cc1ccccc1.[W].
What is the InChIKey of 2-methylbutylbenzene;tungsten?
The InChIKey is BUYMOZWEOHNLMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15.W/c1-3-10(2)9-11-7-5-4-6-8-11;/h4-8H,3,9H2,1-2H3;/q-1;.
What are the key properties of 2-methylbutylbenzene;tungsten?
2-methylbutylbenzene;tungsten has a molecular weight of 331.08 g/mol, XLogP of 3.23, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylbutylbenzene;tungsten is sourced from PubChem (CID 58566927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).