3-(2-bromo-1-propoxyethoxy)-1,2-dimethylcyclopentene

C12H21BrO2 — CID 166569664

IUPAC3-(2-bromo-1-propoxyethoxy)-1,2-dimethylcyclopentene
SMILESCCCOC(CBr)OC1CCC(C)=C1C
InChIInChI=1S/C12H21BrO2/c1-4-7-14-12(8-13)15-11-6-5-9(2)10(11)3/h11-12H,4-8H2,1-3H3
InChIKeyHKGDRPOOQFZDLM-UHFFFAOYSA-N
MW277.20 g/mol
LogP3.65
Rot. Bonds6

About 3-(2-bromo-1-propoxyethoxy)-1,2-dimethylcyclopentene

3-(2-bromo-1-propoxyethoxy)-1,2-dimethylcyclopentene (PubChem CID 166569664) has the molecular formula C12H21BrO2 and a molecular weight of 277.20 g/mol. Its IUPAC name is 3-(2-bromo-1-propoxyethoxy)-1,2-dimethylcyclopentene.

Molecular Properties

Compound Name3-(2-bromo-1-propoxyethoxy)-1,2-dimethylcyclopentene
PubChem CID166569664
Molecular FormulaC12H21BrO2
Molecular Weight277.20 g/mol
Exact Mass276.07
IUPAC Name3-(2-bromo-1-propoxyethoxy)-1,2-dimethylcyclopentene
SMILESCCCOC(CBr)OC1CCC(C)=C1C
InChIInChI=1S/C12H21BrO2/c1-4-7-14-12(8-13)15-11-6-5-9(2)10(11)3/h11-12H,4-8H2,1-3H3
InChIKeyHKGDRPOOQFZDLM-UHFFFAOYSA-N
XLogP3.65
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.20
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 3-(2-bromo-1-propoxyethoxy)-1,2-dimethylcyclopentene 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

3-(2-Bromo-1-ethoxyethoxy)-1-methylcyclohex-1-ene
CID 13616444
3-(1-Bromo-2-methoxypropan-2-yl)oxy-1,2-dimethylcyclohexene
CID 11011282
1-Bromo-3-(1-ethoxyethoxy)-2-methylcyclopentene
CID 22749340
3-(2-Bromo-1-propoxyethoxy)-1-methylcyclopentene
CID 166569626
3-(2-Bromo-1-propoxyethoxy)-1,2,5-trimethylcyclopentene
CID 166569627
3-(1-Butoxy-2-iodoethoxy)-1,2-dimethylcyclopentene
CID 166569632
3-(2-Bromo-1-propan-2-yloxyethoxy)-1-methylcyclopentene
CID 166569637
3-(2-Iodo-1-propan-2-yloxyethoxy)-1,2-dimethylcyclopentene
CID 166569642
3-(2-Bromo-1-propan-2-yloxyethoxy)-1,2,5-trimethylcyclopentene
CID 166569652
3-(2-Bromo-1-ethoxyethoxy)-1-methylcyclopentene
CID 166569653
3-(2-Bromo-1-butoxyethoxy)-1-methylcyclopentene
CID 166569657
3-[2-Bromo-1-(2-methylpropoxy)ethoxy]-1,2-dimethylcyclopentene
CID 166569662

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromo-1-propoxyethoxy)-1,2-dimethylcyclopentene?
The IUPAC name of 3-(2-bromo-1-propoxyethoxy)-1,2-dimethylcyclopentene (CID 166569664) is 3-(2-bromo-1-propoxyethoxy)-1,2-dimethylcyclopentene.
What is the SMILES notation for 3-(2-bromo-1-propoxyethoxy)-1,2-dimethylcyclopentene?
The canonical SMILES for 3-(2-bromo-1-propoxyethoxy)-1,2-dimethylcyclopentene is CCCOC(CBr)OC1CCC(C)=C1C.
What is the InChIKey of 3-(2-bromo-1-propoxyethoxy)-1,2-dimethylcyclopentene?
The InChIKey is HKGDRPOOQFZDLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21BrO2/c1-4-7-14-12(8-13)15-11-6-5-9(2)10(11)3/h11-12H,4-8H2,1-3H3.
What are the key properties of 3-(2-bromo-1-propoxyethoxy)-1,2-dimethylcyclopentene?
3-(2-bromo-1-propoxyethoxy)-1,2-dimethylcyclopentene has a molecular weight of 277.20 g/mol, XLogP of 3.65, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromo-1-propoxyethoxy)-1,2-dimethylcyclopentene is sourced from PubChem (CID 166569664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).