2-(1-bromononyl)-1,3,5-trimethylbenzene

C18H29Br — CID 65428123

IUPAC2-(1-bromononyl)-1,3,5-trimethylbenzene
SMILESCCCCCCCCC(Br)c1c(C)cc(C)cc1C
InChIInChI=1S/C18H29Br/c1-5-6-7-8-9-10-11-17(19)18-15(3)12-14(2)13-16(18)4/h12-13,17H,5-11H2,1-4H3
InChIKeySKOHSUYRCSGCBT-UHFFFAOYSA-N
MW325.33 g/mol
LogP6.80
Rot. Bonds8

About 2-(1-bromononyl)-1,3,5-trimethylbenzene

2-(1-bromononyl)-1,3,5-trimethylbenzene (PubChem CID 65428123) has the molecular formula C18H29Br and a molecular weight of 325.33 g/mol. Its IUPAC name is 2-(1-bromononyl)-1,3,5-trimethylbenzene.

Molecular Properties

Compound Name2-(1-bromononyl)-1,3,5-trimethylbenzene
PubChem CID65428123
Molecular FormulaC18H29Br
Molecular Weight325.33 g/mol
Exact Mass324.15
IUPAC Name2-(1-bromononyl)-1,3,5-trimethylbenzene
SMILESCCCCCCCCC(Br)c1c(C)cc(C)cc1C
InChIInChI=1S/C18H29Br/c1-5-6-7-8-9-10-11-17(19)18-15(3)12-14(2)13-16(18)4/h12-13,17H,5-11H2,1-4H3
InChIKeySKOHSUYRCSGCBT-UHFFFAOYSA-N
XLogP6.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.33
LogP ≤ 56.80
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-(2,4,6-trimethylphenyl)heptan-1-ol
CID 65148082
1-(2,4,6-trimethylphenyl)heptan-1-amine
CID 114752275
1,3,5-trimethyl-2-octan-2-ylbenzene
CID 101366430
2-(1-bromo-2-propylpentyl)-1,3,5-trimethylbenzene
CID 82987727
1-(1-bromooctyl)-4-methylbenzene
CID 63437569
N-ethyl-1-(2,4,6-trimethylphenyl)hexan-1-amine
CID 43491113
5-(1-bromodecyl)-2-fluoro-1,3-dimethylbenzene
CID 65427554
N-ethyl-1-(2-methoxy-4,6-dimethylphenyl)heptan-1-amine
CID 106682491
2-(1-bromooctyl)-1,3,5-trimethoxybenzene
CID 63438336
2-(1-chloropentyl)-1,3,5-trimethylbenzene
CID 63431372
1-(1-bromooctyl)-4,5-dimethoxy-2-methylbenzene
CID 63443348
1-(1-bromooctyl)-2,4-difluoro-5-methylbenzene
CID 79731208

Frequently Asked Questions

What is the IUPAC name of 2-(1-bromononyl)-1,3,5-trimethylbenzene?
The IUPAC name of 2-(1-bromononyl)-1,3,5-trimethylbenzene (CID 65428123) is 2-(1-bromononyl)-1,3,5-trimethylbenzene.
What is the SMILES notation for 2-(1-bromononyl)-1,3,5-trimethylbenzene?
The canonical SMILES for 2-(1-bromononyl)-1,3,5-trimethylbenzene is CCCCCCCCC(Br)c1c(C)cc(C)cc1C.
What is the InChIKey of 2-(1-bromononyl)-1,3,5-trimethylbenzene?
The InChIKey is SKOHSUYRCSGCBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29Br/c1-5-6-7-8-9-10-11-17(19)18-15(3)12-14(2)13-16(18)4/h12-13,17H,5-11H2,1-4H3.
What are the key properties of 2-(1-bromononyl)-1,3,5-trimethylbenzene?
2-(1-bromononyl)-1,3,5-trimethylbenzene has a molecular weight of 325.33 g/mol, XLogP of 6.80, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-bromononyl)-1,3,5-trimethylbenzene is sourced from PubChem (CID 65428123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).