CID 134854586

C8H15BO4 — CID 134854586

IUPAC—
SMILES[B][C@@H]1O[C@H](COC)C(OC)C1CO
InChIInChI=1S/C8H15BO4/c1-11-4-6-7(12-2)5(3-10)8(9)13-6/h5-8,10H,3-4H2,1-2H3/t5?,6-,7?,8-/m1/s1
InChIKeyKNPYJKXGUIYABS-WMEPKMGJSA-N
MW186.02 g/mol
LogP-0.85
Rot. Bonds4

About CID 134854586

CID 134854586 (PubChem CID 134854586) has the molecular formula C8H15BO4 and a molecular weight of 186.02 g/mol.

Molecular Properties

Compound NameCID 134854586
PubChem CID134854586
Molecular FormulaC8H15BO4
Molecular Weight186.02 g/mol
Exact Mass186.11
IUPAC Name—
SMILES[B][C@@H]1O[C@H](COC)C(OC)C1CO
InChIInChI=1S/C8H15BO4/c1-11-4-6-7(12-2)5(3-10)8(9)13-6/h5-8,10H,3-4H2,1-2H3/t5?,6-,7?,8-/m1/s1
InChIKeyKNPYJKXGUIYABS-WMEPKMGJSA-N
XLogP-0.85
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.02
LogP ≤ 5-0.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze CID 134854586 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 59905782
CID 59905782
CID 89046672
CID 89046672
CID 134854629
CID 134854629
CID 20677835
CID 20677835
CID 20732790
CID 20732790
CID 20732791
CID 20732791
CID 21043553
CID 21043553
CID 21302319
CID 21302319
CID 21302320
CID 21302320
CID 22965519
CID 22965519
CID 54562154
CID 54562154
CID 58013213
CID 58013213

Frequently Asked Questions

What is the IUPAC name of CID 134854586?
The IUPAC name of CID 134854586 (CID 134854586) is not available.
What is the SMILES notation for CID 134854586?
The canonical SMILES for CID 134854586 is [B][C@@H]1O[C@H](COC)C(OC)C1CO.
What is the InChIKey of CID 134854586?
The InChIKey is KNPYJKXGUIYABS-WMEPKMGJSA-N. The full InChI is InChI=1S/C8H15BO4/c1-11-4-6-7(12-2)5(3-10)8(9)13-6/h5-8,10H,3-4H2,1-2H3/t5?,6-,7?,8-/m1/s1.
What are the key properties of CID 134854586?
CID 134854586 has a molecular weight of 186.02 g/mol, XLogP of -0.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134854586 is sourced from PubChem (CID 134854586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).