4-ethoxycyclopent-2-en-1-ol

C7H12O2 — CID 133057988

IUPAC4-ethoxycyclopent-2-en-1-ol
SMILESCCOC1C=CC(O)C1
InChIInChI=1S/C7H12O2/c1-2-9-7-4-3-6(8)5-7/h3-4,6-8H,2,5H2,1H3
InChIKeyASIGGPIZHCQQRZ-UHFFFAOYSA-N
MW128.17 g/mol
LogP0.71
Rot. Bonds2

About 4-ethoxycyclopent-2-en-1-ol

4-ethoxycyclopent-2-en-1-ol (PubChem CID 133057988) has the molecular formula C7H12O2 and a molecular weight of 128.17 g/mol. Its IUPAC name is 4-ethoxycyclopent-2-en-1-ol.

Molecular Properties

Compound Name4-ethoxycyclopent-2-en-1-ol
PubChem CID133057988
Molecular FormulaC7H12O2
Molecular Weight128.17 g/mol
Exact Mass128.08
IUPAC Name4-ethoxycyclopent-2-en-1-ol
SMILESCCOC1C=CC(O)C1
InChIInChI=1S/C7H12O2/c1-2-9-7-4-3-6(8)5-7/h3-4,6-8H,2,5H2,1H3
InChIKeyASIGGPIZHCQQRZ-UHFFFAOYSA-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'}

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxycyclopent-2-en-1-ol?
The IUPAC name of 4-ethoxycyclopent-2-en-1-ol (CID 133057988) is 4-ethoxycyclopent-2-en-1-ol.
What is the SMILES notation for 4-ethoxycyclopent-2-en-1-ol?
The canonical SMILES for 4-ethoxycyclopent-2-en-1-ol is CCOC1C=CC(O)C1.
What is the InChIKey of 4-ethoxycyclopent-2-en-1-ol?
The InChIKey is ASIGGPIZHCQQRZ-UHFFFAOYSA-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.
What are the key properties of 4-ethoxycyclopent-2-en-1-ol?
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 4-ethoxycyclopent-2-en-1-ol is sourced from PubChem (CID 133057988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).