CID 58918498

C9H27BO3PSi3 — CID 58918498

IUPAC—
SMILES[B-][P+](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C9H27BO3PSi3/c1-15(2,3)11-14(10,12-16(4,5)6)13-17(7,8)9/h1-9H3
InChIKeyHMJADFIFCFHQDY-UHFFFAOYSA-N
MW309.36 g/mol
LogP4.39
Rot. Bonds6

About CID 58918498

CID 58918498 (PubChem CID 58918498) has the molecular formula C9H27BO3PSi3 and a molecular weight of 309.36 g/mol.

Molecular Properties

Compound NameCID 58918498
PubChem CID58918498
Molecular FormulaC9H27BO3PSi3
Molecular Weight309.36 g/mol
Exact Mass309.11
IUPAC Name—
SMILES[B-][P+](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C9H27BO3PSi3/c1-15(2,3)11-14(10,12-16(4,5)6)13-17(7,8)9/h1-9H3
InChIKeyHMJADFIFCFHQDY-UHFFFAOYSA-N
XLogP4.39
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.36
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 58918498?
The IUPAC name of CID 58918498 (CID 58918498) is not available.
What is the SMILES notation for CID 58918498?
The canonical SMILES for CID 58918498 is [B-][P+](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C.
What is the InChIKey of CID 58918498?
The InChIKey is HMJADFIFCFHQDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H27BO3PSi3/c1-15(2,3)11-14(10,12-16(4,5)6)13-17(7,8)9/h1-9H3.
What are the key properties of CID 58918498?
CID 58918498 has a molecular weight of 309.36 g/mol, XLogP of 4.39, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58918498 is sourced from PubChem (CID 58918498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).