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

C9H15BrO2 — CID 13203835

IUPAC(3R)-3-(2-bromo-1-ethoxyethoxy)cyclopentene
SMILESCCOC(CBr)O[C@H]1C=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/t8-,9?/m0/s1
InChIKeyNLNGVNFCYTWGGE-IENPIDJESA-N
MW235.12 g/mol
LogP2.48
Rot. Bonds5

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

(3R)-3-(2-bromo-1-ethoxyethoxy)cyclopentene (PubChem CID 13203835) has the molecular formula C9H15BrO2 and a molecular weight of 235.12 g/mol. Its IUPAC name is (3R)-3-(2-bromo-1-ethoxyethoxy)cyclopentene.

Molecular Properties

Compound Name(3R)-3-(2-bromo-1-ethoxyethoxy)cyclopentene
PubChem CID13203835
Molecular FormulaC9H15BrO2
Molecular Weight235.12 g/mol
Exact Mass234.03
IUPAC Name(3R)-3-(2-bromo-1-ethoxyethoxy)cyclopentene
SMILESCCOC(CBr)O[C@H]1C=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/t8-,9?/m0/s1
InChIKeyNLNGVNFCYTWGGE-IENPIDJESA-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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Frequently Asked Questions

What is the IUPAC name of (3R)-3-(2-bromo-1-ethoxyethoxy)cyclopentene?
The IUPAC name of (3R)-3-(2-bromo-1-ethoxyethoxy)cyclopentene (CID 13203835) is (3R)-3-(2-bromo-1-ethoxyethoxy)cyclopentene.
What is the SMILES notation for (3R)-3-(2-bromo-1-ethoxyethoxy)cyclopentene?
The canonical SMILES for (3R)-3-(2-bromo-1-ethoxyethoxy)cyclopentene is CCOC(CBr)O[C@H]1C=CCC1.
What is the InChIKey of (3R)-3-(2-bromo-1-ethoxyethoxy)cyclopentene?
The InChIKey is NLNGVNFCYTWGGE-IENPIDJESA-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/t8-,9?/m0/s1.
What are the key properties of (3R)-3-(2-bromo-1-ethoxyethoxy)cyclopentene?
(3R)-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 (3R)-3-(2-bromo-1-ethoxyethoxy)cyclopentene is sourced from PubChem (CID 13203835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).