(5-bromo-3,3-dimethylhexyl)benzene

C14H21Br — CID 64718338

IUPAC(5-bromo-3,3-dimethylhexyl)benzene
SMILESCC(Br)CC(C)(C)CCc1ccccc1
InChIInChI=1S/C14H21Br/c1-12(15)11-14(2,3)10-9-13-7-5-4-6-8-13/h4-8,12H,9-11H2,1-3H3
InChIKeyKUWYGPLGQBFYMH-UHFFFAOYSA-N
MW269.23 g/mol
LogP4.82
Rot. Bonds5

About (5-bromo-3,3-dimethylhexyl)benzene

(5-bromo-3,3-dimethylhexyl)benzene (PubChem CID 64718338) has the molecular formula C14H21Br and a molecular weight of 269.23 g/mol. Its IUPAC name is (5-bromo-3,3-dimethylhexyl)benzene.

Molecular Properties

Compound Name(5-bromo-3,3-dimethylhexyl)benzene
PubChem CID64718338
Molecular FormulaC14H21Br
Molecular Weight269.23 g/mol
Exact Mass268.08
IUPAC Name(5-bromo-3,3-dimethylhexyl)benzene
SMILESCC(Br)CC(C)(C)CCc1ccccc1
InChIInChI=1S/C14H21Br/c1-12(15)11-14(2,3)10-9-13-7-5-4-6-8-13/h4-8,12H,9-11H2,1-3H3
InChIKeyKUWYGPLGQBFYMH-UHFFFAOYSA-N
XLogP4.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.23
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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CID 65308891
2,2-dimethyl-4-phenylbutan-1-ol
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3,5-dimethyl-1-phenylhexan-3-ol
CID 12643765
[5-(3,3-dimethyl-5-phenylpentoxy)-3,3-dimethylpentyl]benzene
CID 174996327
(2R)-4-methyl-6-phenylhexane-2,4-diamine
CID 70295340
1-bromo-3-(4-bromo-2,2-dimethylpentyl)benzene
CID 64718331
1-(4-bromo-2,2-dimethylpentyl)-3-methylbenzene
CID 64715591
3-ethyl-4-methyl-1-phenylpentan-3-amine
CID 60922905
3,3-dimethyltetradecylbenzene
CID 141108755
[(2R)-1-(carboxyamino)-4,4-dimethyl-1,6-diphenylhexan-2-yl]carbamic acid
CID 118294483
3,3-dimethyl-5-phenylpentanoic acid;ethane;propane
CID 142907500
[(3R)-3,4,4-trimethylpentyl]benzene
CID 101039673

Frequently Asked Questions

What is the IUPAC name of (5-bromo-3,3-dimethylhexyl)benzene?
The IUPAC name of (5-bromo-3,3-dimethylhexyl)benzene (CID 64718338) is (5-bromo-3,3-dimethylhexyl)benzene.
What is the SMILES notation for (5-bromo-3,3-dimethylhexyl)benzene?
The canonical SMILES for (5-bromo-3,3-dimethylhexyl)benzene is CC(Br)CC(C)(C)CCc1ccccc1.
What is the InChIKey of (5-bromo-3,3-dimethylhexyl)benzene?
The InChIKey is KUWYGPLGQBFYMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21Br/c1-12(15)11-14(2,3)10-9-13-7-5-4-6-8-13/h4-8,12H,9-11H2,1-3H3.
What are the key properties of (5-bromo-3,3-dimethylhexyl)benzene?
(5-bromo-3,3-dimethylhexyl)benzene has a molecular weight of 269.23 g/mol, XLogP of 4.82, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-3,3-dimethylhexyl)benzene is sourced from PubChem (CID 64718338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).