CID 88956761

C17H35BO4Si2 — CID 88956761

IUPAC—
SMILES[B][C@@H]1O[C@H](C=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H35BO4Si2/c1-16(2,3)23(7,8)21-13-12(11-19)20-15(18)14(13)22-24(9,10)17(4,5)6/h11-15H,1-10H3/t12-,13+,14-,15-/m1/s1
InChIKeyOVTONIFRZIVABQ-LXTVHRRPSA-N
MW370.45 g/mol
LogP3.86
Rot. Bonds5

About CID 88956761

CID 88956761 (PubChem CID 88956761) has the molecular formula C17H35BO4Si2 and a molecular weight of 370.45 g/mol.

Molecular Properties

Compound NameCID 88956761
PubChem CID88956761
Molecular FormulaC17H35BO4Si2
Molecular Weight370.45 g/mol
Exact Mass370.22
IUPAC Name—
SMILES[B][C@@H]1O[C@H](C=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H35BO4Si2/c1-16(2,3)23(7,8)21-13-12(11-19)20-15(18)14(13)22-24(9,10)17(4,5)6/h11-15H,1-10H3/t12-,13+,14-,15-/m1/s1
InChIKeyOVTONIFRZIVABQ-LXTVHRRPSA-N
XLogP3.86
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze CID 88956761 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 88956761?
The IUPAC name of CID 88956761 (CID 88956761) is not available.
What is the SMILES notation for CID 88956761?
The canonical SMILES for CID 88956761 is [B][C@@H]1O[C@H](C=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of CID 88956761?
The InChIKey is OVTONIFRZIVABQ-LXTVHRRPSA-N. The full InChI is InChI=1S/C17H35BO4Si2/c1-16(2,3)23(7,8)21-13-12(11-19)20-15(18)14(13)22-24(9,10)17(4,5)6/h11-15H,1-10H3/t12-,13+,14-,15-/m1/s1.
What are the key properties of CID 88956761?
CID 88956761 has a molecular weight of 370.45 g/mol, XLogP of 3.86, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 88956761 is sourced from PubChem (CID 88956761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).