[4-(bromomethyl)-5,5-dimethylhexyl]benzene

C15H23Br — CID 83141914

IUPAC[4-(bromomethyl)-5,5-dimethylhexyl]benzene
SMILESCC(C)(C)C(CBr)CCCc1ccccc1
InChIInChI=1S/C15H23Br/c1-15(2,3)14(12-16)11-7-10-13-8-5-4-6-9-13/h4-6,8-9,14H,7,10-12H2,1-3H3
InChIKeyNDCBXZWQFCUIID-UHFFFAOYSA-N
MW283.25 g/mol
LogP5.07
Rot. Bonds5

About [4-(bromomethyl)-5,5-dimethylhexyl]benzene

[4-(bromomethyl)-5,5-dimethylhexyl]benzene (PubChem CID 83141914) has the molecular formula C15H23Br and a molecular weight of 283.25 g/mol. Its IUPAC name is [4-(bromomethyl)-5,5-dimethylhexyl]benzene.

Molecular Properties

Compound Name[4-(bromomethyl)-5,5-dimethylhexyl]benzene
PubChem CID83141914
Molecular FormulaC15H23Br
Molecular Weight283.25 g/mol
Exact Mass282.10
IUPAC Name[4-(bromomethyl)-5,5-dimethylhexyl]benzene
SMILESCC(C)(C)C(CBr)CCCc1ccccc1
InChIInChI=1S/C15H23Br/c1-15(2,3)14(12-16)11-7-10-13-8-5-4-6-9-13/h4-6,8-9,14H,7,10-12H2,1-3H3
InChIKeyNDCBXZWQFCUIID-UHFFFAOYSA-N
XLogP5.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.25
LogP ≤ 55.07
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

2-tert-butyl-5-phenyl-N-propan-2-ylpentan-1-amine
CID 83138928
2-tert-butyl-N-(2-methylpropyl)-5-phenylpentan-1-amine
CID 83139154
N-(2-tert-butyl-5-phenylpentyl)cyclopropanamine
CID 83139717
4-phenylbutylbenzene
CID 141301927
2-methyl-7-phenylheptan-3-ol
CID 10976646
[(2R)-5-phenylpentan-2-yl]benzene
CID 143889057
N-ethyl-2,2-dimethyl-6-phenylhexan-3-amine
CID 62600038
(3-tert-butyl-4,4-dimethylpentyl)benzene
CID 54223968
hafnium;4-phenylbutylbenzene
CID 175889972
methane;4-phenylbutylbenzene
CID 173386802
1-[2-(bromomethyl)-3,3-dimethylbutoxy]-4-butylbenzene
CID 115492516
6-phenylhexan-2-ylbenzene
CID 19704587

Frequently Asked Questions

What is the IUPAC name of [4-(bromomethyl)-5,5-dimethylhexyl]benzene?
The IUPAC name of [4-(bromomethyl)-5,5-dimethylhexyl]benzene (CID 83141914) is [4-(bromomethyl)-5,5-dimethylhexyl]benzene.
What is the SMILES notation for [4-(bromomethyl)-5,5-dimethylhexyl]benzene?
The canonical SMILES for [4-(bromomethyl)-5,5-dimethylhexyl]benzene is CC(C)(C)C(CBr)CCCc1ccccc1.
What is the InChIKey of [4-(bromomethyl)-5,5-dimethylhexyl]benzene?
The InChIKey is NDCBXZWQFCUIID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23Br/c1-15(2,3)14(12-16)11-7-10-13-8-5-4-6-9-13/h4-6,8-9,14H,7,10-12H2,1-3H3.
What are the key properties of [4-(bromomethyl)-5,5-dimethylhexyl]benzene?
[4-(bromomethyl)-5,5-dimethylhexyl]benzene has a molecular weight of 283.25 g/mol, XLogP of 5.07, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(bromomethyl)-5,5-dimethylhexyl]benzene is sourced from PubChem (CID 83141914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).