2-tert-butyl-1,3-benzodiselenole

C11H14Se2 — CID 10913724

IUPAC2-tert-butyl-1,3-benzodiselenole
SMILESCC(C)(C)C1[Se]c2ccccc2[Se]1
InChIInChI=1S/C11H14Se2/c1-11(2,3)10-12-8-6-4-5-7-9(8)13-10/h4-7,10H,1-3H3
InChIKeyTUGKFUMJMAIFND-UHFFFAOYSA-N
MW304.15 g/mol
LogP1.15
Rot. Bonds

About 2-tert-butyl-1,3-benzodiselenole

2-tert-butyl-1,3-benzodiselenole (PubChem CID 10913724) has the molecular formula C11H14Se2 and a molecular weight of 304.15 g/mol. Its IUPAC name is 2-tert-butyl-1,3-benzodiselenole.

Molecular Properties

Compound Name2-tert-butyl-1,3-benzodiselenole
PubChem CID10913724
Molecular FormulaC11H14Se2
Molecular Weight304.15 g/mol
Exact Mass305.94
IUPAC Name2-tert-butyl-1,3-benzodiselenole
SMILESCC(C)(C)C1[Se]c2ccccc2[Se]1
InChIInChI=1S/C11H14Se2/c1-11(2,3)10-12-8-6-4-5-7-9(8)13-10/h4-7,10H,1-3H3
InChIKeyTUGKFUMJMAIFND-UHFFFAOYSA-N
XLogP1.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.15
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

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2,2-dimethylpropane;naphthalene
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2,2-dimethylpropane;triphenylene
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2-tert-butyl-2,3-dihydro-1H-indene;methane
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CID 23535270
[(1S)-2-tert-butylcyclopropyl]benzene
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2,6-ditert-butyl-4-phenyl-6H-1,3,5-oxaselenazine
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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1,3-benzodiselenole?
The IUPAC name of 2-tert-butyl-1,3-benzodiselenole (CID 10913724) is 2-tert-butyl-1,3-benzodiselenole.
What is the SMILES notation for 2-tert-butyl-1,3-benzodiselenole?
The canonical SMILES for 2-tert-butyl-1,3-benzodiselenole is CC(C)(C)C1[Se]c2ccccc2[Se]1.
What is the InChIKey of 2-tert-butyl-1,3-benzodiselenole?
The InChIKey is TUGKFUMJMAIFND-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Se2/c1-11(2,3)10-12-8-6-4-5-7-9(8)13-10/h4-7,10H,1-3H3.
What are the key properties of 2-tert-butyl-1,3-benzodiselenole?
2-tert-butyl-1,3-benzodiselenole has a molecular weight of 304.15 g/mol, XLogP of 1.15, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1,3-benzodiselenole is sourced from PubChem (CID 10913724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).