CID 59168467

C19H28OSi2 — CID 59168467

IUPAC—
SMILESC[Si](C)CCCCCOc1ccc2cc([Si](C)C)ccc2c1
InChIInChI=1S/C19H28OSi2/c1-21(2)13-7-5-6-12-20-18-10-8-17-15-19(22(3)4)11-9-16(17)14-18/h8-11,14-15H,5-7,12-13H2,1-4H3
InChIKeyJGCNFRQYBDUGIJ-UHFFFAOYSA-N
MW328.60 g/mol
LogP5.10
Rot. Bonds8

About CID 59168467

CID 59168467 (PubChem CID 59168467) has the molecular formula C19H28OSi2 and a molecular weight of 328.60 g/mol.

Molecular Properties

Compound NameCID 59168467
PubChem CID59168467
Molecular FormulaC19H28OSi2
Molecular Weight328.60 g/mol
Exact Mass328.17
IUPAC Name—
SMILESC[Si](C)CCCCCOc1ccc2cc([Si](C)C)ccc2c1
InChIInChI=1S/C19H28OSi2/c1-21(2)13-7-5-6-12-20-18-10-8-17-15-19(22(3)4)11-9-16(17)14-18/h8-11,14-15H,5-7,12-13H2,1-4H3
InChIKeyJGCNFRQYBDUGIJ-UHFFFAOYSA-N
XLogP5.10
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.60
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 59168467?
The IUPAC name of CID 59168467 (CID 59168467) is not available.
What is the SMILES notation for CID 59168467?
The canonical SMILES for CID 59168467 is C[Si](C)CCCCCOc1ccc2cc([Si](C)C)ccc2c1.
What is the InChIKey of CID 59168467?
The InChIKey is JGCNFRQYBDUGIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28OSi2/c1-21(2)13-7-5-6-12-20-18-10-8-17-15-19(22(3)4)11-9-16(17)14-18/h8-11,14-15H,5-7,12-13H2,1-4H3.
What are the key properties of CID 59168467?
CID 59168467 has a molecular weight of 328.60 g/mol, XLogP of 5.10, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59168467 is sourced from PubChem (CID 59168467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).