CID 59269296

C11H12O2 — CID 59269296

IUPAC—
SMILES[CH]C(C)C1COC(C#C)(C#C)OC1
InChIInChI=1S/C11H12O2/c1-5-11(6-2)12-7-10(8-13-11)9(3)4/h1-3,9-10H,7-8H2,4H3
InChIKeyCZFWIHVHOVHGAV-UHFFFAOYSA-N
MW176.22 g/mol
LogP0.96
Rot. Bonds1

About CID 59269296

CID 59269296 (PubChem CID 59269296) has the molecular formula C11H12O2 and a molecular weight of 176.22 g/mol.

Molecular Properties

Compound NameCID 59269296
PubChem CID59269296
Molecular FormulaC11H12O2
Molecular Weight176.22 g/mol
Exact Mass176.08
IUPAC Name—
SMILES[CH]C(C)C1COC(C#C)(C#C)OC1
InChIInChI=1S/C11H12O2/c1-5-11(6-2)12-7-10(8-13-11)9(3)4/h1-3,9-10H,7-8H2,4H3
InChIKeyCZFWIHVHOVHGAV-UHFFFAOYSA-N
XLogP0.96
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze CID 59269296 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 CID 59269296?
The IUPAC name of CID 59269296 (CID 59269296) is not available.
What is the SMILES notation for CID 59269296?
The canonical SMILES for CID 59269296 is [CH]C(C)C1COC(C#C)(C#C)OC1.
What is the InChIKey of CID 59269296?
The InChIKey is CZFWIHVHOVHGAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O2/c1-5-11(6-2)12-7-10(8-13-11)9(3)4/h1-3,9-10H,7-8H2,4H3.
What are the key properties of CID 59269296?
CID 59269296 has a molecular weight of 176.22 g/mol, XLogP of 0.96, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59269296 is sourced from PubChem (CID 59269296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).