(1R,4R)-4-[[(2R)-2H-pyran-2-yl]oxy]cyclopent-2-en-1-ol

C10H12O3 — CID 70607942

IUPAC(1R,4R)-4-[[(2R)-2H-pyran-2-yl]oxy]cyclopent-2-en-1-ol
SMILESO[C@H]1C=C[C@H](O[C@@H]2C=CC=CO2)C1
InChIInChI=1S/C10H12O3/c11-8-4-5-9(7-8)13-10-3-1-2-6-12-10/h1-6,8-11H,7H2/t8-,9-,10+/m0/s1
InChIKeyBJJZUICGMBQFLS-LPEHRKFASA-N
MW180.20 g/mol
LogP1.12
Rot. Bonds2

About (1R,4R)-4-[[(2R)-2H-pyran-2-yl]oxy]cyclopent-2-en-1-ol

(1R,4R)-4-[[(2R)-2H-pyran-2-yl]oxy]cyclopent-2-en-1-ol (PubChem CID 70607942) has the molecular formula C10H12O3 and a molecular weight of 180.20 g/mol. Its IUPAC name is (1R,4R)-4-[[(2R)-2H-pyran-2-yl]oxy]cyclopent-2-en-1-ol.

Molecular Properties

Compound Name(1R,4R)-4-[[(2R)-2H-pyran-2-yl]oxy]cyclopent-2-en-1-ol
PubChem CID70607942
Molecular FormulaC10H12O3
Molecular Weight180.20 g/mol
Exact Mass180.08
IUPAC Name(1R,4R)-4-[[(2R)-2H-pyran-2-yl]oxy]cyclopent-2-en-1-ol
SMILESO[C@H]1C=C[C@H](O[C@@H]2C=CC=CO2)C1
InChIInChI=1S/C10H12O3/c11-8-4-5-9(7-8)13-10-3-1-2-6-12-10/h1-6,8-11H,7H2/t8-,9-,10+/m0/s1
InChIKeyBJJZUICGMBQFLS-LPEHRKFASA-N
XLogP1.12
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.20
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1R,4R)-4-[[(2R)-2H-pyran-2-yl]oxy]cyclopent-2-en-1-ol?
The IUPAC name of (1R,4R)-4-[[(2R)-2H-pyran-2-yl]oxy]cyclopent-2-en-1-ol (CID 70607942) is (1R,4R)-4-[[(2R)-2H-pyran-2-yl]oxy]cyclopent-2-en-1-ol.
What is the SMILES notation for (1R,4R)-4-[[(2R)-2H-pyran-2-yl]oxy]cyclopent-2-en-1-ol?
The canonical SMILES for (1R,4R)-4-[[(2R)-2H-pyran-2-yl]oxy]cyclopent-2-en-1-ol is O[C@H]1C=C[C@H](O[C@@H]2C=CC=CO2)C1.
What is the InChIKey of (1R,4R)-4-[[(2R)-2H-pyran-2-yl]oxy]cyclopent-2-en-1-ol?
The InChIKey is BJJZUICGMBQFLS-LPEHRKFASA-N. The full InChI is InChI=1S/C10H12O3/c11-8-4-5-9(7-8)13-10-3-1-2-6-12-10/h1-6,8-11H,7H2/t8-,9-,10+/m0/s1.
What are the key properties of (1R,4R)-4-[[(2R)-2H-pyran-2-yl]oxy]cyclopent-2-en-1-ol?
(1R,4R)-4-[[(2R)-2H-pyran-2-yl]oxy]cyclopent-2-en-1-ol has a molecular weight of 180.20 g/mol, XLogP of 1.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4R)-4-[[(2R)-2H-pyran-2-yl]oxy]cyclopent-2-en-1-ol is sourced from PubChem (CID 70607942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).