3-(2,2,5,5-tetramethyloxolan-3-yl)cyclopent-2-en-1-ol

C13H22O2 — CID 114624261

IUPAC3-(2,2,5,5-tetramethyloxolan-3-yl)cyclopent-2-en-1-ol
SMILESCC1(C)CC(C2=CC(O)CC2)C(C)(C)O1
InChIInChI=1S/C13H22O2/c1-12(2)8-11(13(3,4)15-12)9-5-6-10(14)7-9/h7,10-11,14H,5-6,8H2,1-4H3
InChIKeyACSIGZOENWUPHQ-UHFFFAOYSA-N
MW210.32 g/mol
LogP2.66
Rot. Bonds1

About 3-(2,2,5,5-tetramethyloxolan-3-yl)cyclopent-2-en-1-ol

3-(2,2,5,5-tetramethyloxolan-3-yl)cyclopent-2-en-1-ol (PubChem CID 114624261) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is 3-(2,2,5,5-tetramethyloxolan-3-yl)cyclopent-2-en-1-ol.

Molecular Properties

Compound Name3-(2,2,5,5-tetramethyloxolan-3-yl)cyclopent-2-en-1-ol
PubChem CID114624261
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Name3-(2,2,5,5-tetramethyloxolan-3-yl)cyclopent-2-en-1-ol
SMILESCC1(C)CC(C2=CC(O)CC2)C(C)(C)O1
InChIInChI=1S/C13H22O2/c1-12(2)8-11(13(3,4)15-12)9-5-6-10(14)7-9/h7,10-11,14H,5-6,8H2,1-4H3
InChIKeyACSIGZOENWUPHQ-UHFFFAOYSA-N
XLogP2.66
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(2,2,5,5-tetramethyloxolan-3-yl)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

Frequently Asked Questions

What is the IUPAC name of 3-(2,2,5,5-tetramethyloxolan-3-yl)cyclopent-2-en-1-ol?
The IUPAC name of 3-(2,2,5,5-tetramethyloxolan-3-yl)cyclopent-2-en-1-ol (CID 114624261) is 3-(2,2,5,5-tetramethyloxolan-3-yl)cyclopent-2-en-1-ol.
What is the SMILES notation for 3-(2,2,5,5-tetramethyloxolan-3-yl)cyclopent-2-en-1-ol?
The canonical SMILES for 3-(2,2,5,5-tetramethyloxolan-3-yl)cyclopent-2-en-1-ol is CC1(C)CC(C2=CC(O)CC2)C(C)(C)O1.
What is the InChIKey of 3-(2,2,5,5-tetramethyloxolan-3-yl)cyclopent-2-en-1-ol?
The InChIKey is ACSIGZOENWUPHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O2/c1-12(2)8-11(13(3,4)15-12)9-5-6-10(14)7-9/h7,10-11,14H,5-6,8H2,1-4H3.
What are the key properties of 3-(2,2,5,5-tetramethyloxolan-3-yl)cyclopent-2-en-1-ol?
3-(2,2,5,5-tetramethyloxolan-3-yl)cyclopent-2-en-1-ol has a molecular weight of 210.32 g/mol, XLogP of 2.66, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2,5,5-tetramethyloxolan-3-yl)cyclopent-2-en-1-ol is sourced from PubChem (CID 114624261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).