(1-bromo-2-methylnonyl)benzene

C16H25Br — CID 104846505

IUPAC(1-bromo-2-methylnonyl)benzene
SMILESCCCCCCCC(C)C(Br)c1ccccc1
InChIInChI=1S/C16H25Br/c1-3-4-5-6-8-11-14(2)16(17)15-12-9-7-10-13-15/h7,9-10,12-14,16H,3-6,8,11H2,1-2H3
InChIKeyNKWYJNRAZUEGJG-UHFFFAOYSA-N
MW297.28 g/mol
LogP6.12
Rot. Bonds8

About (1-bromo-2-methylnonyl)benzene

(1-bromo-2-methylnonyl)benzene (PubChem CID 104846505) has the molecular formula C16H25Br and a molecular weight of 297.28 g/mol. Its IUPAC name is (1-bromo-2-methylnonyl)benzene.

Molecular Properties

Compound Name(1-bromo-2-methylnonyl)benzene
PubChem CID104846505
Molecular FormulaC16H25Br
Molecular Weight297.28 g/mol
Exact Mass296.11
IUPAC Name(1-bromo-2-methylnonyl)benzene
SMILESCCCCCCCC(C)C(Br)c1ccccc1
InChIInChI=1S/C16H25Br/c1-3-4-5-6-8-11-14(2)16(17)15-12-9-7-10-13-15/h7,9-10,12-14,16H,3-6,8,11H2,1-2H3
InChIKeyNKWYJNRAZUEGJG-UHFFFAOYSA-N
XLogP6.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.28
LogP ≤ 56.12
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

5-methylundecan-6-ylbenzene
CID 173025924
N-ethyl-2-methyl-1-phenylundecan-1-amine
CID 104845429
icosan-10-ylbenzene
CID 54351357
hentriacontan-13-ylbenzene
CID 91306613
2-bromo-1-phenyltridecan-1-amine
CID 175004470
(1R)-1-phenyloctan-1-ol
CID 12794259
(3-methyl-1-phenyldodecyl)benzene
CID 91396098
1-bromododecan-2-ylbenzene
CID 66043461
1-phenylheptylphosphane
CID 174874892
1-phenyldecan-1-amine
CID 43175860
1-(1-phenyloctadecoxy)octadecylbenzene
CID 175415236
dimethyl(1-phenylnonadecyl)azanium chloride
CID 22178529

Frequently Asked Questions

What is the IUPAC name of (1-bromo-2-methylnonyl)benzene?
The IUPAC name of (1-bromo-2-methylnonyl)benzene (CID 104846505) is (1-bromo-2-methylnonyl)benzene.
What is the SMILES notation for (1-bromo-2-methylnonyl)benzene?
The canonical SMILES for (1-bromo-2-methylnonyl)benzene is CCCCCCCC(C)C(Br)c1ccccc1.
What is the InChIKey of (1-bromo-2-methylnonyl)benzene?
The InChIKey is NKWYJNRAZUEGJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25Br/c1-3-4-5-6-8-11-14(2)16(17)15-12-9-7-10-13-15/h7,9-10,12-14,16H,3-6,8,11H2,1-2H3.
What are the key properties of (1-bromo-2-methylnonyl)benzene?
(1-bromo-2-methylnonyl)benzene has a molecular weight of 297.28 g/mol, XLogP of 6.12, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1-bromo-2-methylnonyl)benzene is sourced from PubChem (CID 104846505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).