CID 58937877

C9H19BO2Si — CID 58937877

IUPAC—
SMILES[B][C@@H]1C[C@H](CO[Si](C)(C)C)[C@H](O)C1
InChIInChI=1S/C9H19BO2Si/c1-13(2,3)12-6-7-4-8(10)5-9(7)11/h7-9,11H,4-6H2,1-3H3/t7-,8-,9-/m1/s1
InChIKeyPHAGFOHIYDNTDJ-IWSPIJDZSA-N
MW198.15 g/mol
LogP1.57
Rot. Bonds3

About CID 58937877

CID 58937877 (PubChem CID 58937877) has the molecular formula C9H19BO2Si and a molecular weight of 198.15 g/mol.

Molecular Properties

Compound NameCID 58937877
PubChem CID58937877
Molecular FormulaC9H19BO2Si
Molecular Weight198.15 g/mol
Exact Mass198.12
IUPAC Name—
SMILES[B][C@@H]1C[C@H](CO[Si](C)(C)C)[C@H](O)C1
InChIInChI=1S/C9H19BO2Si/c1-13(2,3)12-6-7-4-8(10)5-9(7)11/h7-9,11H,4-6H2,1-3H3/t7-,8-,9-/m1/s1
InChIKeyPHAGFOHIYDNTDJ-IWSPIJDZSA-N
XLogP1.57
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.15
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 58937877?
The IUPAC name of CID 58937877 (CID 58937877) is not available.
What is the SMILES notation for CID 58937877?
The canonical SMILES for CID 58937877 is [B][C@@H]1C[C@H](CO[Si](C)(C)C)[C@H](O)C1.
What is the InChIKey of CID 58937877?
The InChIKey is PHAGFOHIYDNTDJ-IWSPIJDZSA-N. The full InChI is InChI=1S/C9H19BO2Si/c1-13(2,3)12-6-7-4-8(10)5-9(7)11/h7-9,11H,4-6H2,1-3H3/t7-,8-,9-/m1/s1.
What are the key properties of CID 58937877?
CID 58937877 has a molecular weight of 198.15 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58937877 is sourced from PubChem (CID 58937877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).