CID 88562224

C12H23BO3Si — CID 88562224

IUPAC—
SMILES[B][C@@H]1O[C@H](C=O)[C@@H](C)[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H23BO3Si/c1-8-9(7-14)15-11(13)10(8)16-17(5,6)12(2,3)4/h7-11H,1-6H3/t8-,9-,10-,11-/m1/s1
InChIKeyVZVRUWNZMPXGKZ-GWOFURMSSA-N
MW254.21 g/mol
LogP2.11
Rot. Bonds3

About CID 88562224

CID 88562224 (PubChem CID 88562224) has the molecular formula C12H23BO3Si and a molecular weight of 254.21 g/mol.

Molecular Properties

Compound NameCID 88562224
PubChem CID88562224
Molecular FormulaC12H23BO3Si
Molecular Weight254.21 g/mol
Exact Mass254.15
IUPAC Name—
SMILES[B][C@@H]1O[C@H](C=O)[C@@H](C)[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H23BO3Si/c1-8-9(7-14)15-11(13)10(8)16-17(5,6)12(2,3)4/h7-11H,1-6H3/t8-,9-,10-,11-/m1/s1
InChIKeyVZVRUWNZMPXGKZ-GWOFURMSSA-N
XLogP2.11
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.21
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 88562224?
The IUPAC name of CID 88562224 (CID 88562224) is not available.
What is the SMILES notation for CID 88562224?
The canonical SMILES for CID 88562224 is [B][C@@H]1O[C@H](C=O)[C@@H](C)[C@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of CID 88562224?
The InChIKey is VZVRUWNZMPXGKZ-GWOFURMSSA-N. The full InChI is InChI=1S/C12H23BO3Si/c1-8-9(7-14)15-11(13)10(8)16-17(5,6)12(2,3)4/h7-11H,1-6H3/t8-,9-,10-,11-/m1/s1.
What are the key properties of CID 88562224?
CID 88562224 has a molecular weight of 254.21 g/mol, XLogP of 2.11, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 88562224 is sourced from PubChem (CID 88562224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).