3-bromo-2-cyclohex-2-en-1-yloxyoxane

C11H17BrO2 — CID 11097325

IUPAC3-bromo-2-cyclohex-2-en-1-yloxyoxane
SMILESBrC1CCCOC1OC1C=CCCC1
InChIInChI=1S/C11H17BrO2/c12-10-7-4-8-13-11(10)14-9-5-2-1-3-6-9/h2,5,9-11H,1,3-4,6-8H2
InChIKeyGXAYZHCNHXQXKQ-UHFFFAOYSA-N
MW261.16 g/mol
LogP3.01
Rot. Bonds2

About 3-bromo-2-cyclohex-2-en-1-yloxyoxane

3-bromo-2-cyclohex-2-en-1-yloxyoxane (PubChem CID 11097325) has the molecular formula C11H17BrO2 and a molecular weight of 261.16 g/mol. Its IUPAC name is 3-bromo-2-cyclohex-2-en-1-yloxyoxane.

Molecular Properties

Compound Name3-bromo-2-cyclohex-2-en-1-yloxyoxane
PubChem CID11097325
Molecular FormulaC11H17BrO2
Molecular Weight261.16 g/mol
Exact Mass260.04
IUPAC Name3-bromo-2-cyclohex-2-en-1-yloxyoxane
SMILESBrC1CCCOC1OC1C=CCCC1
InChIInChI=1S/C11H17BrO2/c12-10-7-4-8-13-11(10)14-9-5-2-1-3-6-9/h2,5,9-11H,1,3-4,6-8H2
InChIKeyGXAYZHCNHXQXKQ-UHFFFAOYSA-N
XLogP3.01
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.16
LogP ≤ 53.01
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'}

Analyze 3-bromo-2-cyclohex-2-en-1-yloxyoxane 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

Pyran, tetrahydro-2-(3-bromo-5,5-dimethyl-2-cyclohexenyl)oxy-
CID 559258
3-(2-Bromo-1-ethoxyethoxy)cyclohex-1-ene
CID 13203832
(3S)-3-(2-bromo-1-ethoxyethoxy)cyclohexene
CID 101634339
3-[2-Bromo-1-(2-methylpropoxy)ethoxy]cyclohexene
CID 135042780
2-[(1E,3S,5Z)-1-bromoundeca-1,5-dien-3-yl]oxyoxane
CID 135046075
(2R,3S)-3-bromo-2-(2-methylnon-2-en-4-yloxy)oxane
CID 135048469
(3R,6S)-3-bromo-1,7-dioxaspiro[5.5]undec-4-ene
CID 14832119
(2R,3R,6S)-3-bromo-2-methyl-1,7-dioxaspiro[5.5]undec-4-ene
CID 14832121
2-[(2E,6E)-8-bromo-3,7-dimethylocta-2,6-dienoxy]oxane
CID 14039068
2-[(2Z,5Z,8Z)-11-bromoundeca-2,5,8-trienoxy]oxane
CID 14333975
1-Bromo-3-(1-ethoxyethoxy)cyclohexene
CID 22749320
2-(11-Bromoundeca-2,5,8-trienoxy)oxane
CID 54317361

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-cyclohex-2-en-1-yloxyoxane?
The IUPAC name of 3-bromo-2-cyclohex-2-en-1-yloxyoxane (CID 11097325) is 3-bromo-2-cyclohex-2-en-1-yloxyoxane.
What is the SMILES notation for 3-bromo-2-cyclohex-2-en-1-yloxyoxane?
The canonical SMILES for 3-bromo-2-cyclohex-2-en-1-yloxyoxane is BrC1CCCOC1OC1C=CCCC1.
What is the InChIKey of 3-bromo-2-cyclohex-2-en-1-yloxyoxane?
The InChIKey is GXAYZHCNHXQXKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrO2/c12-10-7-4-8-13-11(10)14-9-5-2-1-3-6-9/h2,5,9-11H,1,3-4,6-8H2.
What are the key properties of 3-bromo-2-cyclohex-2-en-1-yloxyoxane?
3-bromo-2-cyclohex-2-en-1-yloxyoxane has a molecular weight of 261.16 g/mol, XLogP of 3.01, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-cyclohex-2-en-1-yloxyoxane is sourced from PubChem (CID 11097325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).