CID 24899129

C16H26BO2Si — CID 24899129

IUPAC—
SMILESCC(c1ccccc1B1OC(C)(C)C(C)(C)O1)[Si](C)C
InChIInChI=1S/C16H26BO2Si/c1-12(20(6)7)13-10-8-9-11-14(13)17-18-15(2,3)16(4,5)19-17/h8-12H,1-7H3
InChIKeyGXSHHBNIBBIDBX-UHFFFAOYSA-N
MW289.28 g/mol
LogP3.38
Rot. Bonds3

About CID 24899129

CID 24899129 (PubChem CID 24899129) has the molecular formula C16H26BO2Si and a molecular weight of 289.28 g/mol.

Molecular Properties

Compound NameCID 24899129
PubChem CID24899129
Molecular FormulaC16H26BO2Si
Molecular Weight289.28 g/mol
Exact Mass289.18
IUPAC Name—
SMILESCC(c1ccccc1B1OC(C)(C)C(C)(C)O1)[Si](C)C
InChIInChI=1S/C16H26BO2Si/c1-12(20(6)7)13-10-8-9-11-14(13)17-18-15(2,3)16(4,5)19-17/h8-12H,1-7H3
InChIKeyGXSHHBNIBBIDBX-UHFFFAOYSA-N
XLogP3.38
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.28
LogP ≤ 53.38
H-Bond Donors ≤ 50
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 24899129?
The IUPAC name of CID 24899129 (CID 24899129) is not available.
What is the SMILES notation for CID 24899129?
The canonical SMILES for CID 24899129 is CC(c1ccccc1B1OC(C)(C)C(C)(C)O1)[Si](C)C.
What is the InChIKey of CID 24899129?
The InChIKey is GXSHHBNIBBIDBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26BO2Si/c1-12(20(6)7)13-10-8-9-11-14(13)17-18-15(2,3)16(4,5)19-17/h8-12H,1-7H3.
What are the key properties of CID 24899129?
CID 24899129 has a molecular weight of 289.28 g/mol, XLogP of 3.38, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 24899129 is sourced from PubChem (CID 24899129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).