1,2-bis(bromomethyl)-4-decylbenzene

C18H28Br2 — CID 139761482

IUPAC1,2-bis(bromomethyl)-4-decylbenzene
SMILESCCCCCCCCCCc1ccc(CBr)c(CBr)c1
InChIInChI=1S/C18H28Br2/c1-2-3-4-5-6-7-8-9-10-16-11-12-17(14-19)18(13-16)15-20/h11-13H,2-10,14-15H2,1H3
InChIKeyAZMXNJPMEKUKKV-UHFFFAOYSA-N
MW404.23 g/mol
LogP7.16
Rot. Bonds11

About 1,2-bis(bromomethyl)-4-decylbenzene

1,2-bis(bromomethyl)-4-decylbenzene (PubChem CID 139761482) has the molecular formula C18H28Br2 and a molecular weight of 404.23 g/mol. Its IUPAC name is 1,2-bis(bromomethyl)-4-decylbenzene.

Molecular Properties

Compound Name1,2-bis(bromomethyl)-4-decylbenzene
PubChem CID139761482
Molecular FormulaC18H28Br2
Molecular Weight404.23 g/mol
Exact Mass402.06
IUPAC Name1,2-bis(bromomethyl)-4-decylbenzene
SMILESCCCCCCCCCCc1ccc(CBr)c(CBr)c1
InChIInChI=1S/C18H28Br2/c1-2-3-4-5-6-7-8-9-10-16-11-12-17(14-19)18(13-16)15-20/h11-13H,2-10,14-15H2,1H3
InChIKeyAZMXNJPMEKUKKV-UHFFFAOYSA-N
XLogP7.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.23
LogP ≤ 57.16
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
bis[2,4-di(nonyl)phenyl]-trihydroxy-λ5-phosphane
CID 57324563
1,2-dibromo-4-hexylbenzene
CID 54422362
4-(3,4-dihexylphenyl)butan-1-ol
CID 169030175
4-nonyl-2-pentylphenol
CID 86162849
2-ethyl-4-heptyl-1-methylbenzene
CID 58289217
1-methyl-2-[(2-methyl-5-octylphenyl)methyl]-4-octylbenzene
CID 20659544
1-(2-bromoethyl)-4-decylbenzene
CID 70453406
2-butyl-5-pentadecylphenol
CID 175271686
2-ethyl-5-nonylphenol
CID 54394722
2-bromo-1-fluoro-4-undecylbenzene
CID 10958447
2-ethyl-4-heptylphenol
CID 58289223

Frequently Asked Questions

What is the IUPAC name of 1,2-bis(bromomethyl)-4-decylbenzene?
The IUPAC name of 1,2-bis(bromomethyl)-4-decylbenzene (CID 139761482) is 1,2-bis(bromomethyl)-4-decylbenzene.
What is the SMILES notation for 1,2-bis(bromomethyl)-4-decylbenzene?
The canonical SMILES for 1,2-bis(bromomethyl)-4-decylbenzene is CCCCCCCCCCc1ccc(CBr)c(CBr)c1.
What is the InChIKey of 1,2-bis(bromomethyl)-4-decylbenzene?
The InChIKey is AZMXNJPMEKUKKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28Br2/c1-2-3-4-5-6-7-8-9-10-16-11-12-17(14-19)18(13-16)15-20/h11-13H,2-10,14-15H2,1H3.
What are the key properties of 1,2-bis(bromomethyl)-4-decylbenzene?
1,2-bis(bromomethyl)-4-decylbenzene has a molecular weight of 404.23 g/mol, XLogP of 7.16, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(bromomethyl)-4-decylbenzene is sourced from PubChem (CID 139761482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).