1-bromo-4-[2-(bromomethyl)decyl]benzene

C17H26Br2 — CID 66042495

IUPAC1-bromo-4-[2-(bromomethyl)decyl]benzene
SMILESCCCCCCCCC(CBr)Cc1ccc(Br)cc1
InChIInChI=1S/C17H26Br2/c1-2-3-4-5-6-7-8-16(14-18)13-15-9-11-17(19)12-10-15/h9-12,16H,2-8,13-14H2,1H3
InChIKeyMZJDGUXORAEAFC-UHFFFAOYSA-N
MW390.20 g/mol
LogP6.75
Rot. Bonds10

About 1-bromo-4-[2-(bromomethyl)decyl]benzene

1-bromo-4-[2-(bromomethyl)decyl]benzene (PubChem CID 66042495) has the molecular formula C17H26Br2 and a molecular weight of 390.20 g/mol. Its IUPAC name is 1-bromo-4-[2-(bromomethyl)decyl]benzene.

Molecular Properties

Compound Name1-bromo-4-[2-(bromomethyl)decyl]benzene
PubChem CID66042495
Molecular FormulaC17H26Br2
Molecular Weight390.20 g/mol
Exact Mass388.04
IUPAC Name1-bromo-4-[2-(bromomethyl)decyl]benzene
SMILESCCCCCCCCC(CBr)Cc1ccc(Br)cc1
InChIInChI=1S/C17H26Br2/c1-2-3-4-5-6-7-8-16(14-18)13-15-9-11-17(19)12-10-15/h9-12,16H,2-8,13-14H2,1H3
InChIKeyMZJDGUXORAEAFC-UHFFFAOYSA-N
XLogP6.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.20
LogP ≤ 56.75
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-bromo-4-[2-(bromomethyl)hexyl]benzene
CID 66040689
1-[2-(bromomethyl)octyl]-4-methylbenzene
CID 66042675
2-[(4-bromophenyl)methyl]tridecane-1-thiol;hydrochloride
CID 173007185
1-[2-(bromomethyl)undecyl]-4-methoxybenzene
CID 66041899
2-[(4-bromophenyl)methyl]-N-methylundecan-1-amine
CID 63521360
2-[(4-bromophenyl)methyl]hexan-1-ol
CID 66059467
1-[2-(bromomethyl)nonyl]-3-methylbenzene
CID 66041904
1-[2-(bromomethyl)octyl]-3-methylbenzene
CID 66040903
1-[2-(bromomethyl)decyl]-3-methylbenzene
CID 66043712
1-[2-(bromomethyl)octyl]-3-chlorobenzene
CID 66042522
4-(2-hexyldecyl)aniline
CID 68751283
2-[(4-bromophenyl)methyl]-N-propan-2-ylhexan-1-amine
CID 63522974

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-[2-(bromomethyl)decyl]benzene?
The IUPAC name of 1-bromo-4-[2-(bromomethyl)decyl]benzene (CID 66042495) is 1-bromo-4-[2-(bromomethyl)decyl]benzene.
What is the SMILES notation for 1-bromo-4-[2-(bromomethyl)decyl]benzene?
The canonical SMILES for 1-bromo-4-[2-(bromomethyl)decyl]benzene is CCCCCCCCC(CBr)Cc1ccc(Br)cc1.
What is the InChIKey of 1-bromo-4-[2-(bromomethyl)decyl]benzene?
The InChIKey is MZJDGUXORAEAFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26Br2/c1-2-3-4-5-6-7-8-16(14-18)13-15-9-11-17(19)12-10-15/h9-12,16H,2-8,13-14H2,1H3.
What are the key properties of 1-bromo-4-[2-(bromomethyl)decyl]benzene?
1-bromo-4-[2-(bromomethyl)decyl]benzene has a molecular weight of 390.20 g/mol, XLogP of 6.75, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-[2-(bromomethyl)decyl]benzene is sourced from PubChem (CID 66042495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).