6-bromo-7-(bromomethyl)-1,1,4,4-tetramethyl-2,3-dihydronaphthalene;6-bromo-1,1,4,4,7-pentamethyl-2,3-dihydronaphthalene

C30H41Br3 — CID 159044062

IUPAC6-bromo-7-(bromomethyl)-1,1,4,4-tetramethyl-2,3-dihydronaphthalene;6-bromo-1,1,4,4,7-pentamethyl-2,3-dihydronaphthalene
SMILESCC1(C)CCC(C)(C)c2cc(CBr)c(Br)cc21.Cc1cc2c(cc1Br)C(C)(C)CCC2(C)C
InChIInChI=1S/C15H20Br2.C15H21Br/c1-14(2)5-6-15(3,4)12-8-13(17)10(9-16)7-11(12)14;1-10-8-11-12(9-13(10)16)15(4,5)7-6-14(11,2)3/h7-8H,5-6,9H2,1-4H3;8-9H,6-7H2,1-5H3
InChIKeyJWKWYLZJHGQQPA-UHFFFAOYSA-N
MW641.37 g/mol
LogP10.80
Rot. Bonds1

About 6-bromo-7-(bromomethyl)-1,1,4,4-tetramethyl-2,3-dihydronaphthalene;6-bromo-1,1,4,4,7-pentamethyl-2,3-dihydronaphthalene

6-bromo-7-(bromomethyl)-1,1,4,4-tetramethyl-2,3-dihydronaphthalene;6-bromo-1,1,4,4,7-pentamethyl-2,3-dihydronaphthalene (PubChem CID 159044062) has the molecular formula C30H41Br3 and a molecular weight of 641.37 g/mol. Its IUPAC name is 6-bromo-7-(bromomethyl)-1,1,4,4-tetramethyl-2,3-dihydronaphthalene;6-bromo-1,1,4,4,7-pentamethyl-2,3-dihydronaphthalene.

Molecular Properties

Compound Name6-bromo-7-(bromomethyl)-1,1,4,4-tetramethyl-2,3-dihydronaphthalene;6-bromo-1,1,4,4,7-pentamethyl-2,3-dihydronaphthalene
PubChem CID159044062
Molecular FormulaC30H41Br3
Molecular Weight641.37 g/mol
Exact Mass638.08
IUPAC Name6-bromo-7-(bromomethyl)-1,1,4,4-tetramethyl-2,3-dihydronaphthalene;6-bromo-1,1,4,4,7-pentamethyl-2,3-dihydronaphthalene
SMILESCC1(C)CCC(C)(C)c2cc(CBr)c(Br)cc21.Cc1cc2c(cc1Br)C(C)(C)CCC2(C)C
InChIInChI=1S/C15H20Br2.C15H21Br/c1-14(2)5-6-15(3,4)12-8-13(17)10(9-16)7-11(12)14;1-10-8-11-12(9-13(10)16)15(4,5)7-6-14(11,2)3/h7-8H,5-6,9H2,1-4H3;8-9H,6-7H2,1-5H3
InChIKeyJWKWYLZJHGQQPA-UHFFFAOYSA-N
XLogP10.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500641.37
LogP ≤ 510.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 6-bromo-7-(bromomethyl)-1,1,4,4-tetramethyl-2,3-dihydronaphthalene;6-bromo-1,1,4,4,7-pentamethyl-2,3-dihydronaphthalene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-7-(bromomethyl)-1,1,4,4-tetramethyl-2,3-dihydronaphthalene;6-bromo-1,1,4,4,7-pentamethyl-2,3-dihydronaphthalene?
The IUPAC name of 6-bromo-7-(bromomethyl)-1,1,4,4-tetramethyl-2,3-dihydronaphthalene;6-bromo-1,1,4,4,7-pentamethyl-2,3-dihydronaphthalene (CID 159044062) is 6-bromo-7-(bromomethyl)-1,1,4,4-tetramethyl-2,3-dihydronaphthalene;6-bromo-1,1,4,4,7-pentamethyl-2,3-dihydronaphthalene.
What is the SMILES notation for 6-bromo-7-(bromomethyl)-1,1,4,4-tetramethyl-2,3-dihydronaphthalene;6-bromo-1,1,4,4,7-pentamethyl-2,3-dihydronaphthalene?
The canonical SMILES for 6-bromo-7-(bromomethyl)-1,1,4,4-tetramethyl-2,3-dihydronaphthalene;6-bromo-1,1,4,4,7-pentamethyl-2,3-dihydronaphthalene is CC1(C)CCC(C)(C)c2cc(CBr)c(Br)cc21.Cc1cc2c(cc1Br)C(C)(C)CCC2(C)C.
What is the InChIKey of 6-bromo-7-(bromomethyl)-1,1,4,4-tetramethyl-2,3-dihydronaphthalene;6-bromo-1,1,4,4,7-pentamethyl-2,3-dihydronaphthalene?
The InChIKey is JWKWYLZJHGQQPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20Br2.C15H21Br/c1-14(2)5-6-15(3,4)12-8-13(17)10(9-16)7-11(12)14;1-10-8-11-12(9-13(10)16)15(4,5)7-6-14(11,2)3/h7-8H,5-6,9H2,1-4H3;8-9H,6-7H2,1-5H3.
What are the key properties of 6-bromo-7-(bromomethyl)-1,1,4,4-tetramethyl-2,3-dihydronaphthalene;6-bromo-1,1,4,4,7-pentamethyl-2,3-dihydronaphthalene?
6-bromo-7-(bromomethyl)-1,1,4,4-tetramethyl-2,3-dihydronaphthalene;6-bromo-1,1,4,4,7-pentamethyl-2,3-dihydronaphthalene has a molecular weight of 641.37 g/mol, XLogP of 10.80, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-7-(bromomethyl)-1,1,4,4-tetramethyl-2,3-dihydronaphthalene;6-bromo-1,1,4,4,7-pentamethyl-2,3-dihydronaphthalene is sourced from PubChem (CID 159044062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).