CID 177088111

C9H14BO2Si — CID 177088111

IUPAC—
SMILESC[Si](C)(C)c1cccc(O[B]O)c1
InChIInChI=1S/C9H14BO2Si/c1-13(2,3)9-6-4-5-8(7-9)12-10-11/h4-7,11H,1-3H3
InChIKeyUGDGCJLZGPCSMQ-UHFFFAOYSA-N
MW193.11 g/mol
LogP1.14
Rot. Bonds3

About CID 177088111

CID 177088111 (PubChem CID 177088111) has the molecular formula C9H14BO2Si and a molecular weight of 193.11 g/mol.

Molecular Properties

Compound NameCID 177088111
PubChem CID177088111
Molecular FormulaC9H14BO2Si
Molecular Weight193.11 g/mol
Exact Mass193.09
IUPAC Name—
SMILESC[Si](C)(C)c1cccc(O[B]O)c1
InChIInChI=1S/C9H14BO2Si/c1-13(2,3)9-6-4-5-8(7-9)12-10-11/h4-7,11H,1-3H3
InChIKeyUGDGCJLZGPCSMQ-UHFFFAOYSA-N
XLogP1.14
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.11
LogP ≤ 51.14
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 177088111?
The IUPAC name of CID 177088111 (CID 177088111) is not available.
What is the SMILES notation for CID 177088111?
The canonical SMILES for CID 177088111 is C[Si](C)(C)c1cccc(O[B]O)c1.
What is the InChIKey of CID 177088111?
The InChIKey is UGDGCJLZGPCSMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14BO2Si/c1-13(2,3)9-6-4-5-8(7-9)12-10-11/h4-7,11H,1-3H3.
What are the key properties of CID 177088111?
CID 177088111 has a molecular weight of 193.11 g/mol, XLogP of 1.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 177088111 is sourced from PubChem (CID 177088111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).