CID 156634460

C7H17B2O3 — CID 156634460

IUPAC—
SMILESCCCCCCCB(O)O[B]O
InChIInChI=1S/C7H17B2O3/c1-2-3-4-5-6-7-9(11)12-8-10/h10-11H,2-7H2,1H3
InChIKeyKNAJKXCGPXJBOM-UHFFFAOYSA-N
MW170.83 g/mol
LogP0.98
Rot. Bonds8

About CID 156634460

CID 156634460 (PubChem CID 156634460) has the molecular formula C7H17B2O3 and a molecular weight of 170.83 g/mol.

Molecular Properties

Compound NameCID 156634460
PubChem CID156634460
Molecular FormulaC7H17B2O3
Molecular Weight170.83 g/mol
Exact Mass171.14
IUPAC Name—
SMILESCCCCCCCB(O)O[B]O
InChIInChI=1S/C7H17B2O3/c1-2-3-4-5-6-7-9(11)12-8-10/h10-11H,2-7H2,1H3
InChIKeyKNAJKXCGPXJBOM-UHFFFAOYSA-N
XLogP0.98
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.83
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze CID 156634460 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

CID 156634462
CID 156634462
tetradecylboronic acid
CID 3528229
octadecylboronic acid
CID 521161
aminooxy(pentyl)borinic acid
CID 88633345
CID 175209304
CID 175209304
CID 158911763
CID 158911763
decane;ruthenium
CID 160818595
CID 131878919
CID 131878919
tri(nonyl)borane
CID 12793706
methanol;undecane
CID 161373911
heptyl(dimethyl)borane
CID 123843147
pentadecoxymethylboronic acid
CID 151152394

Frequently Asked Questions

What is the IUPAC name of CID 156634460?
The IUPAC name of CID 156634460 (CID 156634460) is not available.
What is the SMILES notation for CID 156634460?
The canonical SMILES for CID 156634460 is CCCCCCCB(O)O[B]O.
What is the InChIKey of CID 156634460?
The InChIKey is KNAJKXCGPXJBOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17B2O3/c1-2-3-4-5-6-7-9(11)12-8-10/h10-11H,2-7H2,1H3.
What are the key properties of CID 156634460?
CID 156634460 has a molecular weight of 170.83 g/mol, XLogP of 0.98, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 156634460 is sourced from PubChem (CID 156634460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).