CID 59269413

C9H14O2 — CID 59269413

IUPAC—
SMILES[CH]CCC1COC(C)(C=C)O1
InChIInChI=1S/C9H14O2/c1-4-6-8-7-10-9(3,5-2)11-8/h1,5,8H,2,4,6-7H2,3H3
InChIKeyUXLJOZFAEULAFA-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.80
Rot. Bonds3

About CID 59269413

CID 59269413 (PubChem CID 59269413) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol.

Molecular Properties

Compound NameCID 59269413
PubChem CID59269413
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name—
SMILES[CH]CCC1COC(C)(C=C)O1
InChIInChI=1S/C9H14O2/c1-4-6-8-7-10-9(3,5-2)11-8/h1,5,8H,2,4,6-7H2,3H3
InChIKeyUXLJOZFAEULAFA-UHFFFAOYSA-N
XLogP1.80
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze CID 59269413 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 59269413?
The IUPAC name of CID 59269413 (CID 59269413) is not available.
What is the SMILES notation for CID 59269413?
The canonical SMILES for CID 59269413 is [CH]CCC1COC(C)(C=C)O1.
What is the InChIKey of CID 59269413?
The InChIKey is UXLJOZFAEULAFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2/c1-4-6-8-7-10-9(3,5-2)11-8/h1,5,8H,2,4,6-7H2,3H3.
What are the key properties of CID 59269413?
CID 59269413 has a molecular weight of 154.21 g/mol, XLogP of 1.80, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59269413 is sourced from PubChem (CID 59269413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).