1,2-dibromo-1-methylcyclooctane

C9H16Br2 — CID 18443823

IUPAC1,2-dibromo-1-methylcyclooctane
SMILESCC1(Br)CCCCCCC1Br
InChIInChI=1S/C9H16Br2/c1-9(11)7-5-3-2-4-6-8(9)10/h8H,2-7H2,1H3
InChIKeySQJOABKXPALXET-UHFFFAOYSA-N
MW284.03 g/mol
LogP4.26
Rot. Bonds

About 1,2-dibromo-1-methylcyclooctane

1,2-dibromo-1-methylcyclooctane (PubChem CID 18443823) has the molecular formula C9H16Br2 and a molecular weight of 284.03 g/mol. Its IUPAC name is 1,2-dibromo-1-methylcyclooctane.

Molecular Properties

Compound Name1,2-dibromo-1-methylcyclooctane
PubChem CID18443823
Molecular FormulaC9H16Br2
Molecular Weight284.03 g/mol
Exact Mass281.96
IUPAC Name1,2-dibromo-1-methylcyclooctane
SMILESCC1(Br)CCCCCCC1Br
InChIInChI=1S/C9H16Br2/c1-9(11)7-5-3-2-4-6-8(9)10/h8H,2-7H2,1H3
InChIKeySQJOABKXPALXET-UHFFFAOYSA-N
XLogP4.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.03
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1,2-dibromo-1-methylcyclooctane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

cis-(1R,2R)-2-bromo-1-fluoro-1-methylcyclohexane
CID 14433718
cis-(1S,2S)-2-bromo-1-methylcyclohexan-1-ol
CID 129404972
cis-(1R,2R)-1-bromo-2-fluoro-1-methylcyclohexane
CID 14433721
2,2,3,3,4-pentabromocyclododecane-1,1-diol
CID 155920368
(6R)-6-bromo-1,4-dioxaspiro[4.7]dodecane
CID 98041196
1,1-dibromo-2-methylcycloheptane
CID 70854356
1,8,8-tribromobicyclo[5.1.0]octane
CID 22146558
1,1,7,7-tetramethylcyclopentadecane
CID 123360096
1,1-dimethylcyclononane
CID 59289773
2,2,16-tribromocyclohexadecan-1-one
CID 12561271
11,11-dibromobicyclo[8.1.0]undecane
CID 12759798
10,10-dibromobicyclo[7.1.0]decane
CID 12759792

Frequently Asked Questions

What is the IUPAC name of 1,2-dibromo-1-methylcyclooctane?
The IUPAC name of 1,2-dibromo-1-methylcyclooctane (CID 18443823) is 1,2-dibromo-1-methylcyclooctane.
What is the SMILES notation for 1,2-dibromo-1-methylcyclooctane?
The canonical SMILES for 1,2-dibromo-1-methylcyclooctane is CC1(Br)CCCCCCC1Br.
What is the InChIKey of 1,2-dibromo-1-methylcyclooctane?
The InChIKey is SQJOABKXPALXET-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16Br2/c1-9(11)7-5-3-2-4-6-8(9)10/h8H,2-7H2,1H3.
What are the key properties of 1,2-dibromo-1-methylcyclooctane?
1,2-dibromo-1-methylcyclooctane has a molecular weight of 284.03 g/mol, XLogP of 4.26, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dibromo-1-methylcyclooctane is sourced from PubChem (CID 18443823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).