2,4-dibromo-1-(5-methyldecan-5-yl)benzene

C17H26Br2 — CID 134536089

IUPAC2,4-dibromo-1-(5-methyldecan-5-yl)benzene
SMILESCCCCCC(C)(CCCC)c1ccc(Br)cc1Br
InChIInChI=1S/C17H26Br2/c1-4-6-8-12-17(3,11-7-5-2)15-10-9-14(18)13-16(15)19/h9-10,13H,4-8,11-12H2,1-3H3
InChIKeyAZUDFSYOBANGHA-UHFFFAOYSA-N
MW390.20 g/mol
LogP7.24
Rot. Bonds8

About 2,4-dibromo-1-(5-methyldecan-5-yl)benzene

2,4-dibromo-1-(5-methyldecan-5-yl)benzene (PubChem CID 134536089) has the molecular formula C17H26Br2 and a molecular weight of 390.20 g/mol. Its IUPAC name is 2,4-dibromo-1-(5-methyldecan-5-yl)benzene.

Molecular Properties

Compound Name2,4-dibromo-1-(5-methyldecan-5-yl)benzene
PubChem CID134536089
Molecular FormulaC17H26Br2
Molecular Weight390.20 g/mol
Exact Mass388.04
IUPAC Name2,4-dibromo-1-(5-methyldecan-5-yl)benzene
SMILESCCCCCC(C)(CCCC)c1ccc(Br)cc1Br
InChIInChI=1S/C17H26Br2/c1-4-6-8-12-17(3,11-7-5-2)15-10-9-14(18)13-16(15)19/h9-10,13H,4-8,11-12H2,1-3H3
InChIKeyAZUDFSYOBANGHA-UHFFFAOYSA-N
XLogP7.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.20
LogP ≤ 57.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-(4-bromo-2-chlorophenyl)nonan-2-amine
CID 82779733
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1-bromo-3-(3-methylnonan-3-yl)benzene
CID 134535746
1-bromo-3-methyl-2-(5-methylundecan-5-yl)benzene
CID 146636965
2-fluoro-3-(5-methylundecan-5-yl)pyridine
CID 139342335
3,6-bis(2-methylheptan-2-yl)benzene-1,2-diol
CID 54503359
2,4-dibromo-1-heptoxybenzene
CID 101293515
2,4-dibromo-1-octoxybenzene
CID 101293529
2-(3-bromophenyl)nonan-2-ol
CID 65144812
5-bromo-N-butyl-2-(trifluoromethyl)aniline
CID 107285846
2,5-dibromo-N-decylaniline
CID 63492917
1,4-dibromo-2-butoxybenzene
CID 69260452

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-1-(5-methyldecan-5-yl)benzene?
The IUPAC name of 2,4-dibromo-1-(5-methyldecan-5-yl)benzene (CID 134536089) is 2,4-dibromo-1-(5-methyldecan-5-yl)benzene.
What is the SMILES notation for 2,4-dibromo-1-(5-methyldecan-5-yl)benzene?
The canonical SMILES for 2,4-dibromo-1-(5-methyldecan-5-yl)benzene is CCCCCC(C)(CCCC)c1ccc(Br)cc1Br.
What is the InChIKey of 2,4-dibromo-1-(5-methyldecan-5-yl)benzene?
The InChIKey is AZUDFSYOBANGHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26Br2/c1-4-6-8-12-17(3,11-7-5-2)15-10-9-14(18)13-16(15)19/h9-10,13H,4-8,11-12H2,1-3H3.
What are the key properties of 2,4-dibromo-1-(5-methyldecan-5-yl)benzene?
2,4-dibromo-1-(5-methyldecan-5-yl)benzene has a molecular weight of 390.20 g/mol, XLogP of 7.24, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-1-(5-methyldecan-5-yl)benzene is sourced from PubChem (CID 134536089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).