(1S,4R)-4-ethoxycyclopent-2-en-1-ol

C7H12O2 — CID 133059768

IUPAC(1S,4R)-4-ethoxycyclopent-2-en-1-ol
SMILESCCO[C@H]1C=C[C@@H](O)C1
InChIInChI=1S/C7H12O2/c1-2-9-7-4-3-6(8)5-7/h3-4,6-8H,2,5H2,1H3/t6-,7+/m1/s1
InChIKeyASIGGPIZHCQQRZ-RQJHMYQMSA-N
MW128.17 g/mol
LogP0.71
Rot. Bonds2

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

(1S,4R)-4-ethoxycyclopent-2-en-1-ol (PubChem CID 133059768) has the molecular formula C7H12O2 and a molecular weight of 128.17 g/mol. Its IUPAC name is (1S,4R)-4-ethoxycyclopent-2-en-1-ol.

Molecular Properties

Compound Name(1S,4R)-4-ethoxycyclopent-2-en-1-ol
PubChem CID133059768
Molecular FormulaC7H12O2
Molecular Weight128.17 g/mol
Exact Mass128.08
IUPAC Name(1S,4R)-4-ethoxycyclopent-2-en-1-ol
SMILESCCO[C@H]1C=C[C@@H](O)C1
InChIInChI=1S/C7H12O2/c1-2-9-7-4-3-6(8)5-7/h3-4,6-8H,2,5H2,1H3/t6-,7+/m1/s1
InChIKeyASIGGPIZHCQQRZ-RQJHMYQMSA-N
XLogP0.71
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1S,4R)-4-ethoxycyclopent-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

Frequently Asked Questions

What is the IUPAC name of (1S,4R)-4-ethoxycyclopent-2-en-1-ol?
The IUPAC name of (1S,4R)-4-ethoxycyclopent-2-en-1-ol (CID 133059768) is (1S,4R)-4-ethoxycyclopent-2-en-1-ol.
What is the SMILES notation for (1S,4R)-4-ethoxycyclopent-2-en-1-ol?
The canonical SMILES for (1S,4R)-4-ethoxycyclopent-2-en-1-ol is CCO[C@H]1C=C[C@@H](O)C1.
What is the InChIKey of (1S,4R)-4-ethoxycyclopent-2-en-1-ol?
The InChIKey is ASIGGPIZHCQQRZ-RQJHMYQMSA-N. The full InChI is InChI=1S/C7H12O2/c1-2-9-7-4-3-6(8)5-7/h3-4,6-8H,2,5H2,1H3/t6-,7+/m1/s1.
What are the key properties of (1S,4R)-4-ethoxycyclopent-2-en-1-ol?
(1S,4R)-4-ethoxycyclopent-2-en-1-ol has a molecular weight of 128.17 g/mol, XLogP of 0.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4R)-4-ethoxycyclopent-2-en-1-ol is sourced from PubChem (CID 133059768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).