CID 174846801

C19H28BiOSi — CID 174846801

IUPAC—
SMILESCO[Si].[Bi]c1cccc(C2CCCCC2)c1C1CCCCC1
InChIInChI=1S/C18H25.CH3OSi.Bi/c1-3-9-15(10-4-1)17-13-7-8-14-18(17)16-11-5-2-6-12-16;1-2-3;/h7-8,13,15-16H,1-6,9-12H2;1H3;
InChIKeyXHOGRQNPVPJMDM-UHFFFAOYSA-N
MW509.50 g/mol
LogP4.29
Rot. Bonds2

About CID 174846801

CID 174846801 (PubChem CID 174846801) has the molecular formula C19H28BiOSi and a molecular weight of 509.50 g/mol.

Molecular Properties

Compound NameCID 174846801
PubChem CID174846801
Molecular FormulaC19H28BiOSi
Molecular Weight509.50 g/mol
Exact Mass509.17
IUPAC Name—
SMILESCO[Si].[Bi]c1cccc(C2CCCCC2)c1C1CCCCC1
InChIInChI=1S/C18H25.CH3OSi.Bi/c1-3-9-15(10-4-1)17-13-7-8-14-18(17)16-11-5-2-6-12-16;1-2-3;/h7-8,13,15-16H,1-6,9-12H2;1H3;
InChIKeyXHOGRQNPVPJMDM-UHFFFAOYSA-N
XLogP4.29
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.50
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 174846801?
The IUPAC name of CID 174846801 (CID 174846801) is not available.
What is the SMILES notation for CID 174846801?
The canonical SMILES for CID 174846801 is CO[Si].[Bi]c1cccc(C2CCCCC2)c1C1CCCCC1.
What is the InChIKey of CID 174846801?
The InChIKey is XHOGRQNPVPJMDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25.CH3OSi.Bi/c1-3-9-15(10-4-1)17-13-7-8-14-18(17)16-11-5-2-6-12-16;1-2-3;/h7-8,13,15-16H,1-6,9-12H2;1H3;.
What are the key properties of CID 174846801?
CID 174846801 has a molecular weight of 509.50 g/mol, XLogP of 4.29, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174846801 is sourced from PubChem (CID 174846801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).