6-(bromomethyl)-7-hexyl-1,1,4,4-tetramethyl-2,3-dihydronaphthalene

C21H33Br — CID 22456869

IUPAC6-(bromomethyl)-7-hexyl-1,1,4,4-tetramethyl-2,3-dihydronaphthalene
SMILESCCCCCCc1cc2c(cc1CBr)C(C)(C)CCC2(C)C
InChIInChI=1S/C21H33Br/c1-6-7-8-9-10-16-13-18-19(14-17(16)15-22)21(4,5)12-11-20(18,2)3/h13-14H,6-12,15H2,1-5H3
InChIKeyDISRQZLDWRMHAZ-UHFFFAOYSA-N
MW365.40 g/mol
LogP7.05
Rot. Bonds6

About 6-(bromomethyl)-7-hexyl-1,1,4,4-tetramethyl-2,3-dihydronaphthalene

6-(bromomethyl)-7-hexyl-1,1,4,4-tetramethyl-2,3-dihydronaphthalene (PubChem CID 22456869) has the molecular formula C21H33Br and a molecular weight of 365.40 g/mol. Its IUPAC name is 6-(bromomethyl)-7-hexyl-1,1,4,4-tetramethyl-2,3-dihydronaphthalene.

Molecular Properties

Compound Name6-(bromomethyl)-7-hexyl-1,1,4,4-tetramethyl-2,3-dihydronaphthalene
PubChem CID22456869
Molecular FormulaC21H33Br
Molecular Weight365.40 g/mol
Exact Mass364.18
IUPAC Name6-(bromomethyl)-7-hexyl-1,1,4,4-tetramethyl-2,3-dihydronaphthalene
SMILESCCCCCCc1cc2c(cc1CBr)C(C)(C)CCC2(C)C
InChIInChI=1S/C21H33Br/c1-6-7-8-9-10-16-13-18-19(14-17(16)15-22)21(4,5)12-11-20(18,2)3/h13-14H,6-12,15H2,1-5H3
InChIKeyDISRQZLDWRMHAZ-UHFFFAOYSA-N
XLogP7.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.40
LogP ≤ 57.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,4-bis(bromomethyl)-2,5-didodecylbenzene
CID 11017447
5,5,8,8-tetramethyl-3-pentyl-6,7-dihydronaphthalene-2-carbaldehyde
CID 23002510
6-hexyl-1,1,4,4-tetramethyl-2,3-dihydronaphthalene
CID 23002530
1,2-bis(bromomethyl)-4-decylbenzene
CID 139761482
2,3,6,7,9,10-hexaheptylanthracene
CID 14089080
1-(5,5-dimethyl-8-octyl-3,4-dihydro-2H-1-benzothiepin-7-yl)ethanol
CID 139626404
1-(bromomethyl)-2-pentylbenzene
CID 19779718
4,5-didecylbenzene-1,2-diol
CID 15667809
1,4-dibromo-2-hexyl-5-pentylbenzene
CID 146208294
4-[3-(3-ethyl-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)propyl]morpholine
CID 170869380
(2E,4E)-3-methyl-7-(5,5,8,8-tetramethyl-3-pentyl-6,7-dihydronaphthalen-2-yl)hepta-2,4-dien-6-ynoate
CID 23002519
1,4-bis(chloromethyl)-2,5-didodecylbenzene
CID 71381372

Frequently Asked Questions

What is the IUPAC name of 6-(bromomethyl)-7-hexyl-1,1,4,4-tetramethyl-2,3-dihydronaphthalene?
The IUPAC name of 6-(bromomethyl)-7-hexyl-1,1,4,4-tetramethyl-2,3-dihydronaphthalene (CID 22456869) is 6-(bromomethyl)-7-hexyl-1,1,4,4-tetramethyl-2,3-dihydronaphthalene.
What is the SMILES notation for 6-(bromomethyl)-7-hexyl-1,1,4,4-tetramethyl-2,3-dihydronaphthalene?
The canonical SMILES for 6-(bromomethyl)-7-hexyl-1,1,4,4-tetramethyl-2,3-dihydronaphthalene is CCCCCCc1cc2c(cc1CBr)C(C)(C)CCC2(C)C.
What is the InChIKey of 6-(bromomethyl)-7-hexyl-1,1,4,4-tetramethyl-2,3-dihydronaphthalene?
The InChIKey is DISRQZLDWRMHAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33Br/c1-6-7-8-9-10-16-13-18-19(14-17(16)15-22)21(4,5)12-11-20(18,2)3/h13-14H,6-12,15H2,1-5H3.
What are the key properties of 6-(bromomethyl)-7-hexyl-1,1,4,4-tetramethyl-2,3-dihydronaphthalene?
6-(bromomethyl)-7-hexyl-1,1,4,4-tetramethyl-2,3-dihydronaphthalene has a molecular weight of 365.40 g/mol, XLogP of 7.05, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(bromomethyl)-7-hexyl-1,1,4,4-tetramethyl-2,3-dihydronaphthalene is sourced from PubChem (CID 22456869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).