CID 59269605

C9H10O2 — CID 59269605

IUPAC—
SMILES[CH]C1COC(C#C)(C=C)OC1
InChIInChI=1S/C9H10O2/c1-4-9(5-2)10-6-8(3)7-11-9/h1,3,5,8H,2,6-7H2
InChIKeyMVAGWLMQKNDKDP-UHFFFAOYSA-N
MW150.18 g/mol
LogP0.88
Rot. Bonds1

About CID 59269605

CID 59269605 (PubChem CID 59269605) has the molecular formula C9H10O2 and a molecular weight of 150.18 g/mol.

Molecular Properties

Compound NameCID 59269605
PubChem CID59269605
Molecular FormulaC9H10O2
Molecular Weight150.18 g/mol
Exact Mass150.07
IUPAC Name—
SMILES[CH]C1COC(C#C)(C=C)OC1
InChIInChI=1S/C9H10O2/c1-4-9(5-2)10-6-8(3)7-11-9/h1,3,5,8H,2,6-7H2
InChIKeyMVAGWLMQKNDKDP-UHFFFAOYSA-N
XLogP0.88
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 50.88
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 59269605 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 59269605?
The IUPAC name of CID 59269605 (CID 59269605) is not available.
What is the SMILES notation for CID 59269605?
The canonical SMILES for CID 59269605 is [CH]C1COC(C#C)(C=C)OC1.
What is the InChIKey of CID 59269605?
The InChIKey is MVAGWLMQKNDKDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O2/c1-4-9(5-2)10-6-8(3)7-11-9/h1,3,5,8H,2,6-7H2.
What are the key properties of CID 59269605?
CID 59269605 has a molecular weight of 150.18 g/mol, XLogP of 0.88, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59269605 is sourced from PubChem (CID 59269605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).