CID 143419840

C20H27BrOSi- — CID 143419840

IUPAC—
SMILESCc1ccc(Br)cc1Cc1ccc(O[Si-](C)(C)C(C)(C)C)cc1
InChIInChI=1S/C20H27BrOSi/c1-15-7-10-18(21)14-17(15)13-16-8-11-19(12-9-16)22-23(5,6)20(2,3)4/h7-12,14H,13H2,1-6H3/q-1
InChIKeyZMCRKMPUMVROLW-UHFFFAOYSA-N
MW391.43 g/mol
LogP6.73
Rot. Bonds4

About CID 143419840

CID 143419840 (PubChem CID 143419840) has the molecular formula C20H27BrOSi- and a molecular weight of 391.43 g/mol.

Molecular Properties

Compound NameCID 143419840
PubChem CID143419840
Molecular FormulaC20H27BrOSi-
Molecular Weight391.43 g/mol
Exact Mass390.10
IUPAC Name—
SMILESCc1ccc(Br)cc1Cc1ccc(O[Si-](C)(C)C(C)(C)C)cc1
InChIInChI=1S/C20H27BrOSi/c1-15-7-10-18(21)14-17(15)13-16-8-11-19(12-9-16)22-23(5,6)20(2,3)4/h7-12,14H,13H2,1-6H3/q-1
InChIKeyZMCRKMPUMVROLW-UHFFFAOYSA-N
XLogP6.73
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.43
LogP ≤ 56.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 143419840?
The IUPAC name of CID 143419840 (CID 143419840) is not available.
What is the SMILES notation for CID 143419840?
The canonical SMILES for CID 143419840 is Cc1ccc(Br)cc1Cc1ccc(O[Si-](C)(C)C(C)(C)C)cc1.
What is the InChIKey of CID 143419840?
The InChIKey is ZMCRKMPUMVROLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27BrOSi/c1-15-7-10-18(21)14-17(15)13-16-8-11-19(12-9-16)22-23(5,6)20(2,3)4/h7-12,14H,13H2,1-6H3/q-1.
What are the key properties of CID 143419840?
CID 143419840 has a molecular weight of 391.43 g/mol, XLogP of 6.73, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 143419840 is sourced from PubChem (CID 143419840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).