CID 143322905

C9H11B — CID 143322905

IUPAC—
SMILES[B]C(C)c1ccc(C)cc1
InChIInChI=1S/C9H11B/c1-7-3-5-9(6-4-7)8(2)10/h3-6,8H,1-2H3
InChIKeyMCDCHYJSEXAJAW-UHFFFAOYSA-N
MW130.00 g/mol
LogP2.22
Rot. Bonds1

About CID 143322905

CID 143322905 (PubChem CID 143322905) has the molecular formula C9H11B and a molecular weight of 130.00 g/mol.

Molecular Properties

Compound NameCID 143322905
PubChem CID143322905
Molecular FormulaC9H11B
Molecular Weight130.00 g/mol
Exact Mass130.10
IUPAC Name—
SMILES[B]C(C)c1ccc(C)cc1
InChIInChI=1S/C9H11B/c1-7-3-5-9(6-4-7)8(2)10/h3-6,8H,1-2H3
InChIKeyMCDCHYJSEXAJAW-UHFFFAOYSA-N
XLogP2.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.00
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze CID 143322905 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,1-dichloroethane;1,4-xylene
CID 70558607
tris(1-methyl-4-propan-2-ylbenzene);dihydrochloride
CID 175503400
1-methyl-4-propan-2-ylbenzene;ruthenium(3+);triiodide
CID 175881712
1-methyl-4-propan-2-ylbenzene;ruthenium(2+);dichloride
CID 11551268
1-methyl-4-propan-2-ylbenzene;ruthenium;dihydroiodide
CID 175953909
1-(1,2-dichloroethyl)-4-methylbenzene
CID 587413
CID 142381961
CID 142381961
1,1-difluoroethane;1,4-xylene
CID 169209229
bromo-(4-methylphenyl)-(4-propan-2-ylphenyl)-λ3-iodane
CID 170693012
1-butan-2-yl-4-methylbenzene;molecular hydrogen;propane
CID 144517328
bis(chlororuthenium(1+));bis(1-methyl-4-propan-2-ylbenzene);dichloride
CID 11319478
1-[(2S)-3,3-dimethylbutan-2-yl]-4-methylbenzene
CID 58051727

Frequently Asked Questions

What is the IUPAC name of CID 143322905?
The IUPAC name of CID 143322905 (CID 143322905) is not available.
What is the SMILES notation for CID 143322905?
The canonical SMILES for CID 143322905 is [B]C(C)c1ccc(C)cc1.
What is the InChIKey of CID 143322905?
The InChIKey is MCDCHYJSEXAJAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11B/c1-7-3-5-9(6-4-7)8(2)10/h3-6,8H,1-2H3.
What are the key properties of CID 143322905?
CID 143322905 has a molecular weight of 130.00 g/mol, XLogP of 2.22, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 143322905 is sourced from PubChem (CID 143322905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).