cyclohex-2-en-1-yl 2-bromo-2-methylpropanoate

C10H15BrO2 — CID 135014558

IUPACcyclohex-2-en-1-yl 2-bromo-2-methylpropanoate
SMILESCC(C)(Br)C(=O)OC1C=CCCC1
InChIInChI=1S/C10H15BrO2/c1-10(2,11)9(12)13-8-6-4-3-5-7-8/h4,6,8H,3,5,7H2,1-2H3
InChIKeyBPMUISIUHDUORU-UHFFFAOYSA-N
MW247.13 g/mol
LogP2.81
Rot. Bonds2

About cyclohex-2-en-1-yl 2-bromo-2-methylpropanoate

cyclohex-2-en-1-yl 2-bromo-2-methylpropanoate (PubChem CID 135014558) has the molecular formula C10H15BrO2 and a molecular weight of 247.13 g/mol. Its IUPAC name is cyclohex-2-en-1-yl 2-bromo-2-methylpropanoate.

Molecular Properties

Compound Namecyclohex-2-en-1-yl 2-bromo-2-methylpropanoate
PubChem CID135014558
Molecular FormulaC10H15BrO2
Molecular Weight247.13 g/mol
Exact Mass246.03
IUPAC Namecyclohex-2-en-1-yl 2-bromo-2-methylpropanoate
SMILESCC(C)(Br)C(=O)OC1C=CCCC1
InChIInChI=1S/C10H15BrO2/c1-10(2,11)9(12)13-8-6-4-3-5-7-8/h4,6,8H,3,5,7H2,1-2H3
InChIKeyBPMUISIUHDUORU-UHFFFAOYSA-N
XLogP2.81
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.13
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Methyl 2-cyclohex-enyl acetate
CID 10986464
3-Acetoxycyclohexene
CID 11116148
Propanoic acid, 2,2-dimethyl-, 2-cyclohexen-1-yl ester
CID 11030452
[(1R)-cyclohex-2-en-1-yl] acetate
CID 11040783
[(1S)-cyclohex-2-en-1-yl] acetate
CID 11263533
Cyclohex-2-en-1-yl butanoate
CID 85781064
[(1R,4R)-4-methoxycyclohex-2-en-1-yl] acetate
CID 13548991
[(1S)-cyclohex-2-en-1-yl] 2,2-dimethylpropanoate
CID 101673882
[(1S,4R)-4-methoxycyclohex-2-en-1-yl] acetate
CID 134900418
Cyclohex-2-en-1-yl 2-bromopropanoate
CID 316907
(3-Deuteriocyclohex-2-en-1-yl) acetate
CID 10964607
(4-Acetyloxy-5,6-dibromocyclohex-2-en-1-yl) acetate
CID 13788230

Frequently Asked Questions

What is the IUPAC name of cyclohex-2-en-1-yl 2-bromo-2-methylpropanoate?
The IUPAC name of cyclohex-2-en-1-yl 2-bromo-2-methylpropanoate (CID 135014558) is cyclohex-2-en-1-yl 2-bromo-2-methylpropanoate.
What is the SMILES notation for cyclohex-2-en-1-yl 2-bromo-2-methylpropanoate?
The canonical SMILES for cyclohex-2-en-1-yl 2-bromo-2-methylpropanoate is CC(C)(Br)C(=O)OC1C=CCCC1.
What is the InChIKey of cyclohex-2-en-1-yl 2-bromo-2-methylpropanoate?
The InChIKey is BPMUISIUHDUORU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrO2/c1-10(2,11)9(12)13-8-6-4-3-5-7-8/h4,6,8H,3,5,7H2,1-2H3.
What are the key properties of cyclohex-2-en-1-yl 2-bromo-2-methylpropanoate?
cyclohex-2-en-1-yl 2-bromo-2-methylpropanoate has a molecular weight of 247.13 g/mol, XLogP of 2.81, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohex-2-en-1-yl 2-bromo-2-methylpropanoate is sourced from PubChem (CID 135014558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).