(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl) selenohypobromite

C15H21BrSe — CID 10861305

IUPAC(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl) selenohypobromite
SMILESCc1cc2c(cc1[Se]Br)C(C)(C)CCC2(C)C
InChIInChI=1S/C15H21BrSe/c1-10-8-11-12(9-13(10)17-16)15(4,5)7-6-14(11,2)3/h8-9H,6-7H2,1-5H3
InChIKeyNEYRVKLYMBAABF-UHFFFAOYSA-N
MW360.20 g/mol
LogP3.98
Rot. Bonds1

About (3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl) selenohypobromite

(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl) selenohypobromite (PubChem CID 10861305) has the molecular formula C15H21BrSe and a molecular weight of 360.20 g/mol. Its IUPAC name is (3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl) selenohypobromite.

Molecular Properties

Compound Name(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl) selenohypobromite
PubChem CID10861305
Molecular FormulaC15H21BrSe
Molecular Weight360.20 g/mol
Exact Mass360.00
IUPAC Name(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl) selenohypobromite
SMILESCc1cc2c(cc1[Se]Br)C(C)(C)CCC2(C)C
InChIInChI=1S/C15H21BrSe/c1-10-8-11-12(9-13(10)17-16)15(4,5)7-6-14(11,2)3/h8-9H,6-7H2,1-5H3
InChIKeyNEYRVKLYMBAABF-UHFFFAOYSA-N
XLogP3.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.20
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl) selenohypobromite?
The IUPAC name of (3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl) selenohypobromite (CID 10861305) is (3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl) selenohypobromite.
What is the SMILES notation for (3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl) selenohypobromite?
The canonical SMILES for (3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl) selenohypobromite is Cc1cc2c(cc1[Se]Br)C(C)(C)CCC2(C)C.
What is the InChIKey of (3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl) selenohypobromite?
The InChIKey is NEYRVKLYMBAABF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrSe/c1-10-8-11-12(9-13(10)17-16)15(4,5)7-6-14(11,2)3/h8-9H,6-7H2,1-5H3.
What are the key properties of (3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl) selenohypobromite?
(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl) selenohypobromite has a molecular weight of 360.20 g/mol, XLogP of 3.98, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl) selenohypobromite is sourced from PubChem (CID 10861305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).