CID 23229605

C10H18B- — CID 23229605

IUPAC—
SMILES[B-](C1CCCC1)C1CCCC1
InChIInChI=1S/C10H18B/c1-2-6-9(5-1)11-10-7-3-4-8-10/h9-10H,1-8H2/q-1
InChIKeyKTHDSGKRWPSTJV-UHFFFAOYSA-N
MW149.07 g/mol
LogP3.42
Rot. Bonds2

About CID 23229605

CID 23229605 (PubChem CID 23229605) has the molecular formula C10H18B- and a molecular weight of 149.07 g/mol.

Molecular Properties

Compound NameCID 23229605
PubChem CID23229605
Molecular FormulaC10H18B-
Molecular Weight149.07 g/mol
Exact Mass149.15
IUPAC Name—
SMILES[B-](C1CCCC1)C1CCCC1
InChIInChI=1S/C10H18B/c1-2-6-9(5-1)11-10-7-3-4-8-10/h9-10H,1-8H2/q-1
InChIKeyKTHDSGKRWPSTJV-UHFFFAOYSA-N
XLogP3.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.07
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze CID 23229605 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

7,8-dimethylbicyclo[4.2.0]octane;ethane
CID 158084419
(1R,8R)-9-methylbicyclo[6.1.0]nonane
CID 12870202
methylcyclopentane
CID 7296
1,2-dimethylcyclononadecane
CID 123549851
erbium;tris(methylcyclopentane)
CID 91996115
1,2-dimethylcycloicosane
CID 123296856
CID 158187464
CID 158187464
cyclohexane;methylcyclopentane
CID 20788572
1,2-dimethylcyclohexane;vanadium
CID 142004480
cyclohexylphosphane
CID 13199
methylcyclobutane;tetrakis(methylcyclopentane)
CID 160836928
1,6-dimethylcycloundecane
CID 91298161

Frequently Asked Questions

What is the IUPAC name of CID 23229605?
The IUPAC name of CID 23229605 (CID 23229605) is not available.
What is the SMILES notation for CID 23229605?
The canonical SMILES for CID 23229605 is [B-](C1CCCC1)C1CCCC1.
What is the InChIKey of CID 23229605?
The InChIKey is KTHDSGKRWPSTJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18B/c1-2-6-9(5-1)11-10-7-3-4-8-10/h9-10H,1-8H2/q-1.
What are the key properties of CID 23229605?
CID 23229605 has a molecular weight of 149.07 g/mol, XLogP of 3.42, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 23229605 is sourced from PubChem (CID 23229605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).