CID 18716271

C9H12B — CID 18716271

IUPAC—
SMILES[B]=C1C(C)=C(C)C(C)=C1C
InChIInChI=1S/C9H12B/c1-5-6(2)8(4)9(10)7(5)3/h1-4H3
InChIKeyWTZHHVPQQFDISI-UHFFFAOYSA-N
MW131.01 g/mol
LogP2.01
Rot. Bonds

About CID 18716271

CID 18716271 (PubChem CID 18716271) has the molecular formula C9H12B and a molecular weight of 131.01 g/mol.

Molecular Properties

Compound NameCID 18716271
PubChem CID18716271
Molecular FormulaC9H12B
Molecular Weight131.01 g/mol
Exact Mass131.10
IUPAC Name—
SMILES[B]=C1C(C)=C(C)C(C)=C1C
InChIInChI=1S/C9H12B/c1-5-6(2)8(4)9(10)7(5)3/h1-4H3
InChIKeyWTZHHVPQQFDISI-UHFFFAOYSA-N
XLogP2.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.01
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze CID 18716271 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 18716271?
The IUPAC name of CID 18716271 (CID 18716271) is not available.
What is the SMILES notation for CID 18716271?
The canonical SMILES for CID 18716271 is [B]=C1C(C)=C(C)C(C)=C1C.
What is the InChIKey of CID 18716271?
The InChIKey is WTZHHVPQQFDISI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12B/c1-5-6(2)8(4)9(10)7(5)3/h1-4H3.
What are the key properties of CID 18716271?
CID 18716271 has a molecular weight of 131.01 g/mol, XLogP of 2.01, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 18716271 is sourced from PubChem (CID 18716271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).