4-(2-methylprop-2-enyl)-4-prop-2-enoxycyclopentene

C12H18O — CID 101200200

IUPAC4-(2-methylprop-2-enyl)-4-prop-2-enoxycyclopentene
SMILESC=CCOC1(CC(=C)C)CC=CC1
InChIInChI=1S/C12H18O/c1-4-9-13-12(10-11(2)3)7-5-6-8-12/h4-6H,1-2,7-10H2,3H3
InChIKeyWTCZCNWVQMFSBH-UHFFFAOYSA-N
MW178.27 g/mol
LogP3.24
Rot. Bonds5

About 4-(2-methylprop-2-enyl)-4-prop-2-enoxycyclopentene

4-(2-methylprop-2-enyl)-4-prop-2-enoxycyclopentene (PubChem CID 101200200) has the molecular formula C12H18O and a molecular weight of 178.27 g/mol. Its IUPAC name is 4-(2-methylprop-2-enyl)-4-prop-2-enoxycyclopentene.

Molecular Properties

Compound Name4-(2-methylprop-2-enyl)-4-prop-2-enoxycyclopentene
PubChem CID101200200
Molecular FormulaC12H18O
Molecular Weight178.27 g/mol
Exact Mass178.14
IUPAC Name4-(2-methylprop-2-enyl)-4-prop-2-enoxycyclopentene
SMILESC=CCOC1(CC(=C)C)CC=CC1
InChIInChI=1S/C12H18O/c1-4-9-13-12(10-11(2)3)7-5-6-8-12/h4-6H,1-2,7-10H2,3H3
InChIKeyWTCZCNWVQMFSBH-UHFFFAOYSA-N
XLogP3.24
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.27
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-(2-methylprop-2-enyl)-4-prop-2-enoxycyclopentene 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 4-(2-methylprop-2-enyl)-4-prop-2-enoxycyclopentene?
The IUPAC name of 4-(2-methylprop-2-enyl)-4-prop-2-enoxycyclopentene (CID 101200200) is 4-(2-methylprop-2-enyl)-4-prop-2-enoxycyclopentene.
What is the SMILES notation for 4-(2-methylprop-2-enyl)-4-prop-2-enoxycyclopentene?
The canonical SMILES for 4-(2-methylprop-2-enyl)-4-prop-2-enoxycyclopentene is C=CCOC1(CC(=C)C)CC=CC1.
What is the InChIKey of 4-(2-methylprop-2-enyl)-4-prop-2-enoxycyclopentene?
The InChIKey is WTCZCNWVQMFSBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O/c1-4-9-13-12(10-11(2)3)7-5-6-8-12/h4-6H,1-2,7-10H2,3H3.
What are the key properties of 4-(2-methylprop-2-enyl)-4-prop-2-enoxycyclopentene?
4-(2-methylprop-2-enyl)-4-prop-2-enoxycyclopentene has a molecular weight of 178.27 g/mol, XLogP of 3.24, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylprop-2-enyl)-4-prop-2-enoxycyclopentene is sourced from PubChem (CID 101200200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).