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

C7H9Cl3O2 — CID 131851036

IUPAC(1S,4R)-4-(2,2,2-trichloroethoxy)cyclopent-2-en-1-ol
SMILESO[C@@H]1C=C[C@H](OCC(Cl)(Cl)Cl)C1
InChIInChI=1S/C7H9Cl3O2/c8-7(9,10)4-12-6-2-1-5(11)3-6/h1-2,5-6,11H,3-4H2/t5-,6+/m1/s1
InChIKeyZXCJALBCGFDKLA-RITPCOANSA-N
MW231.51 g/mol
LogP2.06
Rot. Bonds2

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

(1S,4R)-4-(2,2,2-trichloroethoxy)cyclopent-2-en-1-ol (PubChem CID 131851036) has the molecular formula C7H9Cl3O2 and a molecular weight of 231.51 g/mol. Its IUPAC name is (1S,4R)-4-(2,2,2-trichloroethoxy)cyclopent-2-en-1-ol.

Molecular Properties

Compound Name(1S,4R)-4-(2,2,2-trichloroethoxy)cyclopent-2-en-1-ol
PubChem CID131851036
Molecular FormulaC7H9Cl3O2
Molecular Weight231.51 g/mol
Exact Mass229.97
IUPAC Name(1S,4R)-4-(2,2,2-trichloroethoxy)cyclopent-2-en-1-ol
SMILESO[C@@H]1C=C[C@H](OCC(Cl)(Cl)Cl)C1
InChIInChI=1S/C7H9Cl3O2/c8-7(9,10)4-12-6-2-1-5(11)3-6/h1-2,5-6,11H,3-4H2/t5-,6+/m1/s1
InChIKeyZXCJALBCGFDKLA-RITPCOANSA-N
XLogP2.06
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.51
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-Ethoxycyclopent-2-enol
CID 133057988
(1S,4R)-4-ethoxycyclopent-2-en-1-ol
CID 133059768
(1S,4S)-4-(2-chloroethoxy)cyclopent-2-en-1-ol
CID 154223308
(1R,4S)-4-prop-2-enoxycyclopent-2-en-1-ol
CID 10678327
(1S,4S)-4-prop-2-enoxycyclopent-2-en-1-ol
CID 10725429
4-Prop-2-enoxycyclopent-2-en-1-ol
CID 13623261
(1S,4R)-4-prop-2-enoxycyclopent-2-en-1-ol
CID 13623262
4-Buta-2,3-dienoxycyclopent-2-en-1-ol
CID 130149481
(1S,4R)-4-(2,2,2-trichloroethoxymethoxy)cyclopent-2-en-1-ol
CID 131851034

Frequently Asked Questions

What is the IUPAC name of (1S,4R)-4-(2,2,2-trichloroethoxy)cyclopent-2-en-1-ol?
The IUPAC name of (1S,4R)-4-(2,2,2-trichloroethoxy)cyclopent-2-en-1-ol (CID 131851036) is (1S,4R)-4-(2,2,2-trichloroethoxy)cyclopent-2-en-1-ol.
What is the SMILES notation for (1S,4R)-4-(2,2,2-trichloroethoxy)cyclopent-2-en-1-ol?
The canonical SMILES for (1S,4R)-4-(2,2,2-trichloroethoxy)cyclopent-2-en-1-ol is O[C@@H]1C=C[C@H](OCC(Cl)(Cl)Cl)C1.
What is the InChIKey of (1S,4R)-4-(2,2,2-trichloroethoxy)cyclopent-2-en-1-ol?
The InChIKey is ZXCJALBCGFDKLA-RITPCOANSA-N. The full InChI is InChI=1S/C7H9Cl3O2/c8-7(9,10)4-12-6-2-1-5(11)3-6/h1-2,5-6,11H,3-4H2/t5-,6+/m1/s1.
What are the key properties of (1S,4R)-4-(2,2,2-trichloroethoxy)cyclopent-2-en-1-ol?
(1S,4R)-4-(2,2,2-trichloroethoxy)cyclopent-2-en-1-ol has a molecular weight of 231.51 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4R)-4-(2,2,2-trichloroethoxy)cyclopent-2-en-1-ol is sourced from PubChem (CID 131851036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).