(1S,4R)-4-(2-bromo-1-ethoxyethoxy)cyclopent-2-en-1-ol

C9H15BrO3 — CID 66634642

IUPAC(1S,4R)-4-(2-bromo-1-ethoxyethoxy)cyclopent-2-en-1-ol
SMILESCCOC(CBr)O[C@H]1C=C[C@@H](O)C1
InChIInChI=1S/C9H15BrO3/c1-2-12-9(6-10)13-8-4-3-7(11)5-8/h3-4,7-9,11H,2,5-6H2,1H3/t7-,8+,9?/m1/s1
InChIKeyYRIUTMHTXZKQNB-WGTSGOJVSA-N
MW251.12 g/mol
LogP1.45
Rot. Bonds5

About (1S,4R)-4-(2-bromo-1-ethoxyethoxy)cyclopent-2-en-1-ol

(1S,4R)-4-(2-bromo-1-ethoxyethoxy)cyclopent-2-en-1-ol (PubChem CID 66634642) has the molecular formula C9H15BrO3 and a molecular weight of 251.12 g/mol. Its IUPAC name is (1S,4R)-4-(2-bromo-1-ethoxyethoxy)cyclopent-2-en-1-ol.

Molecular Properties

Compound Name(1S,4R)-4-(2-bromo-1-ethoxyethoxy)cyclopent-2-en-1-ol
PubChem CID66634642
Molecular FormulaC9H15BrO3
Molecular Weight251.12 g/mol
Exact Mass250.02
IUPAC Name(1S,4R)-4-(2-bromo-1-ethoxyethoxy)cyclopent-2-en-1-ol
SMILESCCOC(CBr)O[C@H]1C=C[C@@H](O)C1
InChIInChI=1S/C9H15BrO3/c1-2-12-9(6-10)13-8-4-3-7(11)5-8/h3-4,7-9,11H,2,5-6H2,1H3/t7-,8+,9?/m1/s1
InChIKeyYRIUTMHTXZKQNB-WGTSGOJVSA-N
XLogP1.45
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.12
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 (1S,4R)-4-(2-bromo-1-ethoxyethoxy)cyclopent-2-en-1-ol 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)cyclopentene
CID 11020841
3-bromo-1,1-diethoxybutane
CID 12682404
3-(2-bromo-1-ethoxyethoxy)-1,2,5-trimethylcyclopentene
CID 166569699
(1R,4R)-4-ethylcyclopent-2-en-1-ol
CID 12026726
(4R,6S)-6-(2-bromo-1-ethoxyethoxy)-1-methyl-4-prop-1-en-2-ylcyclohexene
CID 57207982
[(1S,4R)-4-hydroxycyclopent-2-en-1-yl] methyl carbonate
CID 18647346
[(1R)-4-hydroxycyclopent-2-en-1-yl] acetate
CID 90185782
(1S,4R)-4-(2,2,2-trichloroethoxy)cyclopent-2-en-1-ol
CID 131851036
1-(3,3-diethoxypropyl)pyrrolidine-3,4-diol
CID 106670331
4-[tert-butyl(methyl)silyl]oxycyclopent-2-en-1-ol
CID 173446634
(Z)-4-(2-bromo-1-ethoxyethoxy)but-2-en-1-ol
CID 10728670
acetic acid;(1R,4S)-4-tri(propan-2-yl)silyloxycyclopent-2-en-1-ol
CID 71355555

Frequently Asked Questions

What is the IUPAC name of (1S,4R)-4-(2-bromo-1-ethoxyethoxy)cyclopent-2-en-1-ol?
The IUPAC name of (1S,4R)-4-(2-bromo-1-ethoxyethoxy)cyclopent-2-en-1-ol (CID 66634642) is (1S,4R)-4-(2-bromo-1-ethoxyethoxy)cyclopent-2-en-1-ol.
What is the SMILES notation for (1S,4R)-4-(2-bromo-1-ethoxyethoxy)cyclopent-2-en-1-ol?
The canonical SMILES for (1S,4R)-4-(2-bromo-1-ethoxyethoxy)cyclopent-2-en-1-ol is CCOC(CBr)O[C@H]1C=C[C@@H](O)C1.
What is the InChIKey of (1S,4R)-4-(2-bromo-1-ethoxyethoxy)cyclopent-2-en-1-ol?
The InChIKey is YRIUTMHTXZKQNB-WGTSGOJVSA-N. The full InChI is InChI=1S/C9H15BrO3/c1-2-12-9(6-10)13-8-4-3-7(11)5-8/h3-4,7-9,11H,2,5-6H2,1H3/t7-,8+,9?/m1/s1.
What are the key properties of (1S,4R)-4-(2-bromo-1-ethoxyethoxy)cyclopent-2-en-1-ol?
(1S,4R)-4-(2-bromo-1-ethoxyethoxy)cyclopent-2-en-1-ol has a molecular weight of 251.12 g/mol, XLogP of 1.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4R)-4-(2-bromo-1-ethoxyethoxy)cyclopent-2-en-1-ol is sourced from PubChem (CID 66634642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).