(6,7-dibromo-2-methylheptan-3-yl)benzene

C14H20Br2 — CID 13067248

IUPAC(6,7-dibromo-2-methylheptan-3-yl)benzene
SMILESCC(C)C(CCC(Br)CBr)c1ccccc1
InChIInChI=1S/C14H20Br2/c1-11(2)14(9-8-13(16)10-15)12-6-4-3-5-7-12/h3-7,11,13-14H,8-10H2,1-2H3
InChIKeyIKCRZUYEECJISS-UHFFFAOYSA-N
MW348.12 g/mol
LogP5.36
Rot. Bonds6

About (6,7-dibromo-2-methylheptan-3-yl)benzene

(6,7-dibromo-2-methylheptan-3-yl)benzene (PubChem CID 13067248) has the molecular formula C14H20Br2 and a molecular weight of 348.12 g/mol. Its IUPAC name is (6,7-dibromo-2-methylheptan-3-yl)benzene.

Molecular Properties

Compound Name(6,7-dibromo-2-methylheptan-3-yl)benzene
PubChem CID13067248
Molecular FormulaC14H20Br2
Molecular Weight348.12 g/mol
Exact Mass345.99
IUPAC Name(6,7-dibromo-2-methylheptan-3-yl)benzene
SMILESCC(C)C(CCC(Br)CBr)c1ccccc1
InChIInChI=1S/C14H20Br2/c1-11(2)14(9-8-13(16)10-15)12-6-4-3-5-7-12/h3-7,11,13-14H,8-10H2,1-2H3
InChIKeyIKCRZUYEECJISS-UHFFFAOYSA-N
XLogP5.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.12
LogP ≤ 55.36
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

4-methyl-3-phenylpentanoic acid
CID 3249521
(4-bromo-5-methylhexan-3-yl)benzene
CID 79298678
(1-methoxy-3-methylbutan-2-yl)benzene
CID 20593836
1-(4-methyl-3-phenylpentyl)piperidine
CID 121339454
ethane;1-phenylpropan-2-ylbenzene
CID 142097323
N-(3-methyl-2-phenylbutyl)hydroxylamine
CID 15169464
1-bromoethylbenzene
CID 11454
4-methyl-3-phenylpentanamide
CID 66616845
2,5-dimethyl-4-phenylhexanenitrile
CID 153467297
(1-ethoxy-3-methylbutan-2-yl)benzene
CID 67083909
4-(4-methyl-1-phenylpentan-3-yl)pyridine
CID 19783307
[(2S)-1-(difluoromethoxy)-3-methylbutan-2-yl]benzene
CID 118371685

Frequently Asked Questions

What is the IUPAC name of (6,7-dibromo-2-methylheptan-3-yl)benzene?
The IUPAC name of (6,7-dibromo-2-methylheptan-3-yl)benzene (CID 13067248) is (6,7-dibromo-2-methylheptan-3-yl)benzene.
What is the SMILES notation for (6,7-dibromo-2-methylheptan-3-yl)benzene?
The canonical SMILES for (6,7-dibromo-2-methylheptan-3-yl)benzene is CC(C)C(CCC(Br)CBr)c1ccccc1.
What is the InChIKey of (6,7-dibromo-2-methylheptan-3-yl)benzene?
The InChIKey is IKCRZUYEECJISS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Br2/c1-11(2)14(9-8-13(16)10-15)12-6-4-3-5-7-12/h3-7,11,13-14H,8-10H2,1-2H3.
What are the key properties of (6,7-dibromo-2-methylheptan-3-yl)benzene?
(6,7-dibromo-2-methylheptan-3-yl)benzene has a molecular weight of 348.12 g/mol, XLogP of 5.36, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (6,7-dibromo-2-methylheptan-3-yl)benzene is sourced from PubChem (CID 13067248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).