CID 59269062

C12H16O2 — CID 59269062

IUPAC—
SMILES[CH]C(CC)C1COC(C#C)(C=C)OC1
InChIInChI=1S/C12H16O2/c1-5-10(4)11-8-13-12(6-2,7-3)14-9-11/h2,4,7,10-11H,3,5,8-9H2,1H3
InChIKeyUCQHIBRGLJUFQQ-UHFFFAOYSA-N
MW192.26 g/mol
LogP1.90
Rot. Bonds3

About CID 59269062

CID 59269062 (PubChem CID 59269062) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol.

Molecular Properties

Compound NameCID 59269062
PubChem CID59269062
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name—
SMILES[CH]C(CC)C1COC(C#C)(C=C)OC1
InChIInChI=1S/C12H16O2/c1-5-10(4)11-8-13-12(6-2,7-3)14-9-11/h2,4,7,10-11H,3,5,8-9H2,1H3
InChIKeyUCQHIBRGLJUFQQ-UHFFFAOYSA-N
XLogP1.90
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze CID 59269062 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 59269062?
The IUPAC name of CID 59269062 (CID 59269062) is not available.
What is the SMILES notation for CID 59269062?
The canonical SMILES for CID 59269062 is [CH]C(CC)C1COC(C#C)(C=C)OC1.
What is the InChIKey of CID 59269062?
The InChIKey is UCQHIBRGLJUFQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O2/c1-5-10(4)11-8-13-12(6-2,7-3)14-9-11/h2,4,7,10-11H,3,5,8-9H2,1H3.
What are the key properties of CID 59269062?
CID 59269062 has a molecular weight of 192.26 g/mol, XLogP of 1.90, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59269062 is sourced from PubChem (CID 59269062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).