CID 19971981

C20H26OSSi — CID 19971981

IUPAC—
SMILESCCc1cccc([Si]CSc2cc(C)c(O)c(C)c2C)c1CC
InChIInChI=1S/C20H26OSSi/c1-6-16-9-8-10-19(17(16)7-2)23-12-22-18-11-13(3)20(21)15(5)14(18)4/h8-11,21H,6-7,12H2,1-5H3
InChIKeyFQRCJDPVOJWGGS-UHFFFAOYSA-N
MW342.58 g/mol
LogP4.52
Rot. Bonds6

About CID 19971981

CID 19971981 (PubChem CID 19971981) has the molecular formula C20H26OSSi and a molecular weight of 342.58 g/mol.

Molecular Properties

Compound NameCID 19971981
PubChem CID19971981
Molecular FormulaC20H26OSSi
Molecular Weight342.58 g/mol
Exact Mass342.15
IUPAC Name—
SMILESCCc1cccc([Si]CSc2cc(C)c(O)c(C)c2C)c1CC
InChIInChI=1S/C20H26OSSi/c1-6-16-9-8-10-19(17(16)7-2)23-12-22-18-11-13(3)20(21)15(5)14(18)4/h8-11,21H,6-7,12H2,1-5H3
InChIKeyFQRCJDPVOJWGGS-UHFFFAOYSA-N
XLogP4.52
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.58
LogP ≤ 54.52
H-Bond Donors ≤ 51
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 19971981?
The IUPAC name of CID 19971981 (CID 19971981) is not available.
What is the SMILES notation for CID 19971981?
The canonical SMILES for CID 19971981 is CCc1cccc([Si]CSc2cc(C)c(O)c(C)c2C)c1CC.
What is the InChIKey of CID 19971981?
The InChIKey is FQRCJDPVOJWGGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26OSSi/c1-6-16-9-8-10-19(17(16)7-2)23-12-22-18-11-13(3)20(21)15(5)14(18)4/h8-11,21H,6-7,12H2,1-5H3.
What are the key properties of CID 19971981?
CID 19971981 has a molecular weight of 342.58 g/mol, XLogP of 4.52, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 19971981 is sourced from PubChem (CID 19971981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).