CID 20669389

C8H16BO — CID 20669389

IUPAC—
SMILESC[B]C(=O)C(C)(C)CCC
InChIInChI=1S/C8H16BO/c1-5-6-8(2,3)7(10)9-4/h5-6H2,1-4H3
InChIKeyMILXPAXMJNRTRQ-UHFFFAOYSA-N
MW139.03 g/mol
LogP2.09
Rot. Bonds4

About CID 20669389

CID 20669389 (PubChem CID 20669389) has the molecular formula C8H16BO and a molecular weight of 139.03 g/mol.

Molecular Properties

Compound NameCID 20669389
PubChem CID20669389
Molecular FormulaC8H16BO
Molecular Weight139.03 g/mol
Exact Mass139.13
IUPAC Name—
SMILESC[B]C(=O)C(C)(C)CCC
InChIInChI=1S/C8H16BO/c1-5-6-8(2,3)7(10)9-4/h5-6H2,1-4H3
InChIKeyMILXPAXMJNRTRQ-UHFFFAOYSA-N
XLogP2.09
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.03
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze CID 20669389 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

3,3,5,5-tetramethyloctan-4-one
CID 89362590
silver 2,2-dimethylpentanoate
CID 121375132
N-hydroxy-2,2-dimethylpentanamide;hydrochloride
CID 140997012
methyl 2,2-dimethylpentaneperoxoate
CID 150776047
palladium;bis(2,3,4,4-tetramethylhept-2-enoic acid)
CID 165147382
3-fluoro-3-methylhexan-2-one
CID 157210993
4,6-diiodo-4,6-dimethylnonan-5-one
CID 151670843
2,2,4-trimethyl-4-propylpentanedioic acid
CID 19091003
prop-2-enoyl 2,2-dimethylpentanoate
CID 164546657
heptyl 2,2-dimethylpentanoate
CID 138486216
2-fluoro-2-methylpentanamide
CID 134346431
2-(2-methylpentan-2-yloxy)-2-oxoethaneperoxoic acid
CID 23227587

Frequently Asked Questions

What is the IUPAC name of CID 20669389?
The IUPAC name of CID 20669389 (CID 20669389) is not available.
What is the SMILES notation for CID 20669389?
The canonical SMILES for CID 20669389 is C[B]C(=O)C(C)(C)CCC.
What is the InChIKey of CID 20669389?
The InChIKey is MILXPAXMJNRTRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16BO/c1-5-6-8(2,3)7(10)9-4/h5-6H2,1-4H3.
What are the key properties of CID 20669389?
CID 20669389 has a molecular weight of 139.03 g/mol, XLogP of 2.09, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 20669389 is sourced from PubChem (CID 20669389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).