CID 155632343

C11H23BO2 — CID 155632343

IUPAC—
SMILES[B]CCC(C)(COC(C)C)OC(C)C
InChIInChI=1S/C11H23BO2/c1-9(2)13-8-11(5,6-7-12)14-10(3)4/h9-10H,6-8H2,1-5H3
InChIKeyXZQXJMCGWAPVGB-UHFFFAOYSA-N
MW198.11 g/mol
LogP2.57
Rot. Bonds7

About CID 155632343

CID 155632343 (PubChem CID 155632343) has the molecular formula C11H23BO2 and a molecular weight of 198.11 g/mol.

Molecular Properties

Compound NameCID 155632343
PubChem CID155632343
Molecular FormulaC11H23BO2
Molecular Weight198.11 g/mol
Exact Mass198.18
IUPAC Name—
SMILES[B]CCC(C)(COC(C)C)OC(C)C
InChIInChI=1S/C11H23BO2/c1-9(2)13-8-11(5,6-7-12)14-10(3)4/h9-10H,6-8H2,1-5H3
InChIKeyXZQXJMCGWAPVGB-UHFFFAOYSA-N
XLogP2.57
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.11
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze CID 155632343 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 155632343?
The IUPAC name of CID 155632343 (CID 155632343) is not available.
What is the SMILES notation for CID 155632343?
The canonical SMILES for CID 155632343 is [B]CCC(C)(COC(C)C)OC(C)C.
What is the InChIKey of CID 155632343?
The InChIKey is XZQXJMCGWAPVGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23BO2/c1-9(2)13-8-11(5,6-7-12)14-10(3)4/h9-10H,6-8H2,1-5H3.
What are the key properties of CID 155632343?
CID 155632343 has a molecular weight of 198.11 g/mol, XLogP of 2.57, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 155632343 is sourced from PubChem (CID 155632343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).