CID 142144499

C8H11B — CID 142144499

IUPAC—
SMILES[B]CC1=CC=C(C)CC1
InChIInChI=1S/C8H11B/c1-7-2-4-8(6-9)5-3-7/h2,4H,3,5-6H2,1H3
InChIKeyRIDILHPUSZYHKI-UHFFFAOYSA-N
MW117.99 g/mol
LogP2.24
Rot. Bonds1

About CID 142144499

CID 142144499 (PubChem CID 142144499) has the molecular formula C8H11B and a molecular weight of 117.99 g/mol.

Molecular Properties

Compound NameCID 142144499
PubChem CID142144499
Molecular FormulaC8H11B
Molecular Weight117.99 g/mol
Exact Mass118.10
IUPAC Name—
SMILES[B]CC1=CC=C(C)CC1
InChIInChI=1S/C8H11B/c1-7-2-4-8(6-9)5-3-7/h2,4H,3,5-6H2,1H3
InChIKeyRIDILHPUSZYHKI-UHFFFAOYSA-N
XLogP2.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.99
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze CID 142144499 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 142144499?
The IUPAC name of CID 142144499 (CID 142144499) is not available.
What is the SMILES notation for CID 142144499?
The canonical SMILES for CID 142144499 is [B]CC1=CC=C(C)CC1.
What is the InChIKey of CID 142144499?
The InChIKey is RIDILHPUSZYHKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11B/c1-7-2-4-8(6-9)5-3-7/h2,4H,3,5-6H2,1H3.
What are the key properties of CID 142144499?
CID 142144499 has a molecular weight of 117.99 g/mol, XLogP of 2.24, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 142144499 is sourced from PubChem (CID 142144499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).