bis(3-bromo-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methanone

C29H36Br2O — CID 22992387

IUPACbis(3-bromo-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methanone
SMILESCC1(C)CCC(C)(C)c2cc(C(=O)c3cc4c(cc3Br)C(C)(C)CCC4(C)C)c(Br)cc21
InChIInChI=1S/C29H36Br2O/c1-26(2)9-11-28(5,6)21-15-23(30)17(13-19(21)26)25(32)18-14-20-22(16-24(18)31)29(7,8)12-10-27(20,3)4/h13-16H,9-12H2,1-8H3
InChIKeyVOMGZOXTAXYNQF-UHFFFAOYSA-N
MW560.41 g/mol
LogP9.14
Rot. Bonds2

About bis(3-bromo-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methanone

bis(3-bromo-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methanone (PubChem CID 22992387) has the molecular formula C29H36Br2O and a molecular weight of 560.41 g/mol. Its IUPAC name is bis(3-bromo-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methanone.

Molecular Properties

Compound Namebis(3-bromo-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methanone
PubChem CID22992387
Molecular FormulaC29H36Br2O
Molecular Weight560.41 g/mol
Exact Mass558.11
IUPAC Namebis(3-bromo-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methanone
SMILESCC1(C)CCC(C)(C)c2cc(C(=O)c3cc4c(cc3Br)C(C)(C)CCC4(C)C)c(Br)cc21
InChIInChI=1S/C29H36Br2O/c1-26(2)9-11-28(5,6)21-15-23(30)17(13-19(21)26)25(32)18-14-20-22(16-24(18)31)29(7,8)12-10-27(20,3)4/h13-16H,9-12H2,1-8H3
InChIKeyVOMGZOXTAXYNQF-UHFFFAOYSA-N
XLogP9.14
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.41
LogP ≤ 59.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[1-(3-bromo-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethenyl]benzoic acid
CID 67664829
6-bromo-1,1,4,4-tetramethyl-7-[1-(4-methylphenyl)ethenyl]-2,3-dihydronaphthalene
CID 69480296
6-bromo-4,4-dimethyl-2,3-dihydrothiochromene-7-carboxylic acid
CID 91880678
1-(3-hydroxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-methylpropan-1-one
CID 45272516
1-(3-methoxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethanone
CID 3017916
3-[(4-bromophenyl)carbamoyl]-5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carboxylic acid
CID 66548679
bis((4-iodophenyl)-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methanone);methane
CID 160784226
6-ethyl-1,1,4,4-tetramethyl-7-prop-1-en-2-yl-2,3-dihydronaphthalene
CID 617787
1-(3-hydroxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pentan-1-one
CID 90261173
7-acetyl-6-bromo-4,4-dimethyl-1,3-dihydroquinolin-2-one
CID 68790896
(4-methyl-3-nitrosophenyl)-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methanone
CID 89283491
6-bromo-7-(methoxymethoxy)-1,1,4,4-tetramethyl-2,3-dihydronaphthalene
CID 10853629

Frequently Asked Questions

What is the IUPAC name of bis(3-bromo-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methanone?
The IUPAC name of bis(3-bromo-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methanone (CID 22992387) is bis(3-bromo-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methanone.
What is the SMILES notation for bis(3-bromo-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methanone?
The canonical SMILES for bis(3-bromo-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methanone is CC1(C)CCC(C)(C)c2cc(C(=O)c3cc4c(cc3Br)C(C)(C)CCC4(C)C)c(Br)cc21.
What is the InChIKey of bis(3-bromo-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methanone?
The InChIKey is VOMGZOXTAXYNQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36Br2O/c1-26(2)9-11-28(5,6)21-15-23(30)17(13-19(21)26)25(32)18-14-20-22(16-24(18)31)29(7,8)12-10-27(20,3)4/h13-16H,9-12H2,1-8H3.
What are the key properties of bis(3-bromo-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methanone?
bis(3-bromo-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methanone has a molecular weight of 560.41 g/mol, XLogP of 9.14, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3-bromo-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methanone is sourced from PubChem (CID 22992387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).