CID 20589043

C16H31OSi4 — CID 20589043

IUPAC—
SMILESC[Si]1C[Si](C)C[Si](C)(OCC2CC3C=CC2C3)C[Si](C)C1
InChIInChI=1S/C16H31OSi4/c1-18-10-19(2)12-21(4,13-20(3)11-18)17-9-16-8-14-5-6-15(16)7-14/h5-6,14-16H,7-13H2,1-4H3
InChIKeyLZEHDKPYIZYOPU-UHFFFAOYSA-N
MW351.77 g/mol
LogP4.33
Rot. Bonds3

About CID 20589043

CID 20589043 (PubChem CID 20589043) has the molecular formula C16H31OSi4 and a molecular weight of 351.77 g/mol.

Molecular Properties

Compound NameCID 20589043
PubChem CID20589043
Molecular FormulaC16H31OSi4
Molecular Weight351.77 g/mol
Exact Mass351.15
IUPAC Name—
SMILESC[Si]1C[Si](C)C[Si](C)(OCC2CC3C=CC2C3)C[Si](C)C1
InChIInChI=1S/C16H31OSi4/c1-18-10-19(2)12-21(4,13-20(3)11-18)17-9-16-8-14-5-6-15(16)7-14/h5-6,14-16H,7-13H2,1-4H3
InChIKeyLZEHDKPYIZYOPU-UHFFFAOYSA-N
XLogP4.33
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.77
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 20589043?
The IUPAC name of CID 20589043 (CID 20589043) is not available.
What is the SMILES notation for CID 20589043?
The canonical SMILES for CID 20589043 is C[Si]1C[Si](C)C[Si](C)(OCC2CC3C=CC2C3)C[Si](C)C1.
What is the InChIKey of CID 20589043?
The InChIKey is LZEHDKPYIZYOPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31OSi4/c1-18-10-19(2)12-21(4,13-20(3)11-18)17-9-16-8-14-5-6-15(16)7-14/h5-6,14-16H,7-13H2,1-4H3.
What are the key properties of CID 20589043?
CID 20589043 has a molecular weight of 351.77 g/mol, XLogP of 4.33, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 20589043 is sourced from PubChem (CID 20589043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).