3-(2-bromo-1-ethoxyethoxy)cyclopentene

C9H15BrO2 — CID 11020841

IUPAC3-(2-bromo-1-ethoxyethoxy)cyclopentene
SMILESCCOC(CBr)OC1C=CCC1
InChIInChI=1S/C9H15BrO2/c1-2-11-9(7-10)12-8-5-3-4-6-8/h3,5,8-9H,2,4,6-7H2,1H3
InChIKeyNLNGVNFCYTWGGE-UHFFFAOYSA-N
MW235.12 g/mol
LogP2.48
Rot. Bonds5

About 3-(2-bromo-1-ethoxyethoxy)cyclopentene

3-(2-bromo-1-ethoxyethoxy)cyclopentene (PubChem CID 11020841) has the molecular formula C9H15BrO2 and a molecular weight of 235.12 g/mol. Its IUPAC name is 3-(2-bromo-1-ethoxyethoxy)cyclopentene.

Molecular Properties

Compound Name3-(2-bromo-1-ethoxyethoxy)cyclopentene
PubChem CID11020841
Molecular FormulaC9H15BrO2
Molecular Weight235.12 g/mol
Exact Mass234.03
IUPAC Name3-(2-bromo-1-ethoxyethoxy)cyclopentene
SMILESCCOC(CBr)OC1C=CCC1
InChIInChI=1S/C9H15BrO2/c1-2-11-9(7-10)12-8-5-3-4-6-8/h3,5,8-9H,2,4,6-7H2,1H3
InChIKeyNLNGVNFCYTWGGE-UHFFFAOYSA-N
XLogP2.48
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.12
LogP ≤ 52.48
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'}

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Related Compounds

(1S,4R)-4-(2-bromo-1-ethoxyethoxy)cyclopent-2-en-1-ol
CID 66634642
3-(1-butoxy-2-iodoethoxy)cyclohexene
CID 10990946
ethane;(3R)-3-ethylcyclopentene
CID 145484001
3-(5-ethoxyheptyl)cyclopentene
CID 160888931
3-(2-bromo-1-ethoxyethoxy)-1,2,5-trimethylcyclopentene
CID 166569699
3-hydroperoxycyclopentene
CID 10909498
1-cyclohex-2-en-1-yloxyethanol
CID 143838832
4-bromo-3-ethoxycyclohexene
CID 71435450
(4R,6S)-6-(2-bromo-1-ethoxyethoxy)-1-methyl-4-prop-1-en-2-ylcyclohexene
CID 57207982
cyclohex-2-en-1-yl propanoate
CID 10986464
(2S)-2-cyclohex-2-en-1-yloxy-N-methylpropan-1-imine oxide
CID 11106010
3-bromo-1,1-diethoxybutane
CID 12682404

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromo-1-ethoxyethoxy)cyclopentene?
The IUPAC name of 3-(2-bromo-1-ethoxyethoxy)cyclopentene (CID 11020841) is 3-(2-bromo-1-ethoxyethoxy)cyclopentene.
What is the SMILES notation for 3-(2-bromo-1-ethoxyethoxy)cyclopentene?
The canonical SMILES for 3-(2-bromo-1-ethoxyethoxy)cyclopentene is CCOC(CBr)OC1C=CCC1.
What is the InChIKey of 3-(2-bromo-1-ethoxyethoxy)cyclopentene?
The InChIKey is NLNGVNFCYTWGGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15BrO2/c1-2-11-9(7-10)12-8-5-3-4-6-8/h3,5,8-9H,2,4,6-7H2,1H3.
What are the key properties of 3-(2-bromo-1-ethoxyethoxy)cyclopentene?
3-(2-bromo-1-ethoxyethoxy)cyclopentene has a molecular weight of 235.12 g/mol, XLogP of 2.48, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromo-1-ethoxyethoxy)cyclopentene is sourced from PubChem (CID 11020841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).