CID 171459897

C14H14BO2Si — CID 171459897

IUPAC—
SMILESC[Si]1(C)c2ccccc2-c2ccc(O[B]O)cc21
InChIInChI=1S/C14H14BO2Si/c1-18(2)13-6-4-3-5-11(13)12-8-7-10(17-15-16)9-14(12)18/h3-9,16H,1-2H3
InChIKeyKFFNIAFHOKLZJF-UHFFFAOYSA-N
MW253.16 g/mol
LogP1.39
Rot. Bonds2

About CID 171459897

CID 171459897 (PubChem CID 171459897) has the molecular formula C14H14BO2Si and a molecular weight of 253.16 g/mol.

Molecular Properties

Compound NameCID 171459897
PubChem CID171459897
Molecular FormulaC14H14BO2Si
Molecular Weight253.16 g/mol
Exact Mass253.09
IUPAC Name—
SMILESC[Si]1(C)c2ccccc2-c2ccc(O[B]O)cc21
InChIInChI=1S/C14H14BO2Si/c1-18(2)13-6-4-3-5-11(13)12-8-7-10(17-15-16)9-14(12)18/h3-9,16H,1-2H3
InChIKeyKFFNIAFHOKLZJF-UHFFFAOYSA-N
XLogP1.39
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.16
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 171459897?
The IUPAC name of CID 171459897 (CID 171459897) is not available.
What is the SMILES notation for CID 171459897?
The canonical SMILES for CID 171459897 is C[Si]1(C)c2ccccc2-c2ccc(O[B]O)cc21.
What is the InChIKey of CID 171459897?
The InChIKey is KFFNIAFHOKLZJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BO2Si/c1-18(2)13-6-4-3-5-11(13)12-8-7-10(17-15-16)9-14(12)18/h3-9,16H,1-2H3.
What are the key properties of CID 171459897?
CID 171459897 has a molecular weight of 253.16 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 171459897 is sourced from PubChem (CID 171459897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).