1-(1-bromononyl)-2-methylbenzene

C16H25Br — CID 174984937

IUPAC1-(1-bromononyl)-2-methylbenzene
SMILESCCCCCCCCC(Br)c1ccccc1C
InChIInChI=1S/C16H25Br/c1-3-4-5-6-7-8-13-16(17)15-12-10-9-11-14(15)2/h9-12,16H,3-8,13H2,1-2H3
InChIKeyFCLRGQPJOILKQV-UHFFFAOYSA-N
MW297.28 g/mol
LogP6.18
Rot. Bonds8

About 1-(1-bromononyl)-2-methylbenzene

1-(1-bromononyl)-2-methylbenzene (PubChem CID 174984937) has the molecular formula C16H25Br and a molecular weight of 297.28 g/mol. Its IUPAC name is 1-(1-bromononyl)-2-methylbenzene.

Molecular Properties

Compound Name1-(1-bromononyl)-2-methylbenzene
PubChem CID174984937
Molecular FormulaC16H25Br
Molecular Weight297.28 g/mol
Exact Mass296.11
IUPAC Name1-(1-bromononyl)-2-methylbenzene
SMILESCCCCCCCCC(Br)c1ccccc1C
InChIInChI=1S/C16H25Br/c1-3-4-5-6-7-8-13-16(17)15-12-10-9-11-14(15)2/h9-12,16H,3-8,13H2,1-2H3
InChIKeyFCLRGQPJOILKQV-UHFFFAOYSA-N
XLogP6.18
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 ≤ 56.18
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-methyl-2-tetradecan-2-ylbenzene
CID 54096578
1-methyl-2-octan-2-ylbenzene
CID 86190056
1-(1-bromooctan-2-yl)-2-methylbenzene
CID 79419011
1-decan-3-yl-2-methylbenzene
CID 152506171
1-(2-methylphenyl)nonan-1-amine
CID 63412316
2-(2-methylphenyl)decan-1-amine
CID 79421405
1-(1-chlorooctan-2-yl)-2-methylbenzene
CID 79419086
1-(1-hydroperoxyundecyl)-2-methylbenzene
CID 87550617
1-(1-bromoheptyl)-2,3-difluorobenzene
CID 10989939
1-(3-iodoundecan-2-yl)-2-methylbenzene
CID 70542707
N-[1-(2-methylphenyl)ethyl]octan-2-amine
CID 43129972
N-[1-(2-methylphenyl)ethyl]nonan-2-amine
CID 43129973

Frequently Asked Questions

What is the IUPAC name of 1-(1-bromononyl)-2-methylbenzene?
The IUPAC name of 1-(1-bromononyl)-2-methylbenzene (CID 174984937) is 1-(1-bromononyl)-2-methylbenzene.
What is the SMILES notation for 1-(1-bromononyl)-2-methylbenzene?
The canonical SMILES for 1-(1-bromononyl)-2-methylbenzene is CCCCCCCCC(Br)c1ccccc1C.
What is the InChIKey of 1-(1-bromononyl)-2-methylbenzene?
The InChIKey is FCLRGQPJOILKQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25Br/c1-3-4-5-6-7-8-13-16(17)15-12-10-9-11-14(15)2/h9-12,16H,3-8,13H2,1-2H3.
What are the key properties of 1-(1-bromononyl)-2-methylbenzene?
1-(1-bromononyl)-2-methylbenzene has a molecular weight of 297.28 g/mol, XLogP of 6.18, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-bromononyl)-2-methylbenzene is sourced from PubChem (CID 174984937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).