2-(2-methylpropoxy)-1-prop-2-enylcyclopent-2-en-1-ol

C12H20O2 — CID 71443379

IUPAC2-(2-methylpropoxy)-1-prop-2-enylcyclopent-2-en-1-ol
SMILESC=CCC1(O)CCC=C1OCC(C)C
InChIInChI=1S/C12H20O2/c1-4-7-12(13)8-5-6-11(12)14-9-10(2)3/h4,6,10,13H,1,5,7-9H2,2-3H3
InChIKeyPOWDACCETNDAJG-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.64
Rot. Bonds5

About 2-(2-methylpropoxy)-1-prop-2-enylcyclopent-2-en-1-ol

2-(2-methylpropoxy)-1-prop-2-enylcyclopent-2-en-1-ol (PubChem CID 71443379) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is 2-(2-methylpropoxy)-1-prop-2-enylcyclopent-2-en-1-ol.

Molecular Properties

Compound Name2-(2-methylpropoxy)-1-prop-2-enylcyclopent-2-en-1-ol
PubChem CID71443379
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name2-(2-methylpropoxy)-1-prop-2-enylcyclopent-2-en-1-ol
SMILESC=CCC1(O)CCC=C1OCC(C)C
InChIInChI=1S/C12H20O2/c1-4-7-12(13)8-5-6-11(12)14-9-10(2)3/h4,6,10,13H,1,5,7-9H2,2-3H3
InChIKeyPOWDACCETNDAJG-UHFFFAOYSA-N
XLogP2.64
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(2-methylpropoxy)-1-prop-2-enylcyclopent-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 2-(2-methylpropoxy)-1-prop-2-enylcyclopent-2-en-1-ol?
The IUPAC name of 2-(2-methylpropoxy)-1-prop-2-enylcyclopent-2-en-1-ol (CID 71443379) is 2-(2-methylpropoxy)-1-prop-2-enylcyclopent-2-en-1-ol.
What is the SMILES notation for 2-(2-methylpropoxy)-1-prop-2-enylcyclopent-2-en-1-ol?
The canonical SMILES for 2-(2-methylpropoxy)-1-prop-2-enylcyclopent-2-en-1-ol is C=CCC1(O)CCC=C1OCC(C)C.
What is the InChIKey of 2-(2-methylpropoxy)-1-prop-2-enylcyclopent-2-en-1-ol?
The InChIKey is POWDACCETNDAJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2/c1-4-7-12(13)8-5-6-11(12)14-9-10(2)3/h4,6,10,13H,1,5,7-9H2,2-3H3.
What are the key properties of 2-(2-methylpropoxy)-1-prop-2-enylcyclopent-2-en-1-ol?
2-(2-methylpropoxy)-1-prop-2-enylcyclopent-2-en-1-ol has a molecular weight of 196.29 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropoxy)-1-prop-2-enylcyclopent-2-en-1-ol is sourced from PubChem (CID 71443379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).