4-methylcyclohexene-1,2-dicarbonyl bromide

C9H10Br2O2 — CID 139716359

IUPAC4-methylcyclohexene-1,2-dicarbonyl bromide
SMILESCC1CCC(C(=O)Br)=C(C(=O)Br)C1
InChIInChI=1S/C9H10Br2O2/c1-5-2-3-6(8(10)12)7(4-5)9(11)13/h5H,2-4H2,1H3
InChIKeyDPUZWZFBDPZSLA-UHFFFAOYSA-N
MW309.99 g/mol
LogP2.95
Rot. Bonds2

About 4-methylcyclohexene-1,2-dicarbonyl bromide

4-methylcyclohexene-1,2-dicarbonyl bromide (PubChem CID 139716359) has the molecular formula C9H10Br2O2 and a molecular weight of 309.99 g/mol. Its IUPAC name is 4-methylcyclohexene-1,2-dicarbonyl bromide.

Molecular Properties

Compound Name4-methylcyclohexene-1,2-dicarbonyl bromide
PubChem CID139716359
Molecular FormulaC9H10Br2O2
Molecular Weight309.99 g/mol
Exact Mass307.90
IUPAC Name4-methylcyclohexene-1,2-dicarbonyl bromide
SMILESCC1CCC(C(=O)Br)=C(C(=O)Br)C1
InChIInChI=1S/C9H10Br2O2/c1-5-2-3-6(8(10)12)7(4-5)9(11)13/h5H,2-4H2,1H3
InChIKeyDPUZWZFBDPZSLA-UHFFFAOYSA-N
XLogP2.95
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.99
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-methylcyclohexene-1,2-dicarbonyl bromide 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

2-methoxycarbonyl-4-methylcyclohexene-1-carboxylic acid
CID 67483109
2-chloro-5-methylcyclohexene-1-carboxylic acid
CID 43154595
4-methyl-2-propoxycarbonylcyclohexene-1-carboxylic acid
CID 70236803
(5-methyl-2-prop-1-en-2-ylcyclohexen-1-yl) acetate
CID 12729460
ethane;3-methylcyclopentan-1-one
CID 142926670
N-[(3R)-3-methylcyclopentylidene]hydroxylamine
CID 140972581
(NE)-N-(3-methylcyclopentylidene)hydroxylamine
CID 12768212
(1R)-1-methyl-3-methylidenecyclopentane
CID 58904772
2-bromo-3-methylcyclopentene-1-carboxylate
CID 155906082
1-(2-hydroxy-3,5-dimethylcyclohexen-1-yl)ethanone
CID 140897650
2-bromo-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid
CID 82374905
[(E)-(3-methylcyclopentylidene)amino]urea
CID 5380591

Frequently Asked Questions

What is the IUPAC name of 4-methylcyclohexene-1,2-dicarbonyl bromide?
The IUPAC name of 4-methylcyclohexene-1,2-dicarbonyl bromide (CID 139716359) is 4-methylcyclohexene-1,2-dicarbonyl bromide.
What is the SMILES notation for 4-methylcyclohexene-1,2-dicarbonyl bromide?
The canonical SMILES for 4-methylcyclohexene-1,2-dicarbonyl bromide is CC1CCC(C(=O)Br)=C(C(=O)Br)C1.
What is the InChIKey of 4-methylcyclohexene-1,2-dicarbonyl bromide?
The InChIKey is DPUZWZFBDPZSLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Br2O2/c1-5-2-3-6(8(10)12)7(4-5)9(11)13/h5H,2-4H2,1H3.
What are the key properties of 4-methylcyclohexene-1,2-dicarbonyl bromide?
4-methylcyclohexene-1,2-dicarbonyl bromide has a molecular weight of 309.99 g/mol, XLogP of 2.95, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylcyclohexene-1,2-dicarbonyl bromide is sourced from PubChem (CID 139716359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).