5-methylhex-1-en-2-ylbenzene;tungsten(2+)

C13H16W — CID 58767679

IUPAC5-methylhex-1-en-2-ylbenzene;tungsten(2+)
SMILES[H]/[C-]=C(\CCC(C)C)c1[c-]cccc1.[W+2]
InChIInChI=1S/C13H16.W/c1-11(2)9-10-12(3)13-7-5-4-6-8-13;/h3-7,11H,9-10H2,1-2H3;/q-2;+2
InChIKeyIKXVFUFLXQLYHU-UHFFFAOYSA-N
MW356.11 g/mol
LogP3.74
Rot. Bonds4

About 5-methylhex-1-en-2-ylbenzene;tungsten(2+)

5-methylhex-1-en-2-ylbenzene;tungsten(2+) (PubChem CID 58767679) has the molecular formula C13H16W and a molecular weight of 356.11 g/mol. Its IUPAC name is 5-methylhex-1-en-2-ylbenzene;tungsten(2+).

Molecular Properties

Compound Name5-methylhex-1-en-2-ylbenzene;tungsten(2+)
PubChem CID58767679
Molecular FormulaC13H16W
Molecular Weight356.11 g/mol
Exact Mass356.08
IUPAC Name5-methylhex-1-en-2-ylbenzene;tungsten(2+)
SMILES[H]/[C-]=C(\CCC(C)C)c1[c-]cccc1.[W+2]
InChIInChI=1S/C13H16.W/c1-11(2)9-10-12(3)13-7-5-4-6-8-13;/h3-7,11H,9-10H2,1-2H3;/q-2;+2
InChIKeyIKXVFUFLXQLYHU-UHFFFAOYSA-N
XLogP3.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.11
LogP ≤ 53.74
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 5-methylhex-1-en-2-ylbenzene;tungsten(2+)?
The IUPAC name of 5-methylhex-1-en-2-ylbenzene;tungsten(2+) (CID 58767679) is 5-methylhex-1-en-2-ylbenzene;tungsten(2+).
What is the SMILES notation for 5-methylhex-1-en-2-ylbenzene;tungsten(2+)?
The canonical SMILES for 5-methylhex-1-en-2-ylbenzene;tungsten(2+) is [H]/[C-]=C(\CCC(C)C)c1[c-]cccc1.[W+2].
What is the InChIKey of 5-methylhex-1-en-2-ylbenzene;tungsten(2+)?
The InChIKey is IKXVFUFLXQLYHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16.W/c1-11(2)9-10-12(3)13-7-5-4-6-8-13;/h3-7,11H,9-10H2,1-2H3;/q-2;+2.
What are the key properties of 5-methylhex-1-en-2-ylbenzene;tungsten(2+)?
5-methylhex-1-en-2-ylbenzene;tungsten(2+) has a molecular weight of 356.11 g/mol, XLogP of 3.74, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylhex-1-en-2-ylbenzene;tungsten(2+) is sourced from PubChem (CID 58767679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).