CID 176893127

C10H21O3Si2 — CID 176893127

IUPAC
SMILESC=C[Si].C=C[Si](OCC)(OCC)OCC
InChIInChI=1S/C8H18O3Si.C2H3Si/c1-5-9-12(8-4,10-6-2)11-7-3;1-2-3/h8H,4-7H2,1-3H3;2H,1H2
InChIKeyFYFVZMGAGIQNQW-UHFFFAOYSA-N
MW245.45 g/mol
LogP2.06
Rot. Bonds7

About CID 176893127

CID 176893127 (PubChem CID 176893127) has the molecular formula C10H21O3Si2 and a molecular weight of 245.45 g/mol.

Molecular Properties

Compound NameCID 176893127
PubChem CID176893127
Molecular FormulaC10H21O3Si2
Molecular Weight245.45 g/mol
Exact Mass245.10
IUPAC Name
SMILESC=C[Si].C=C[Si](OCC)(OCC)OCC
InChIInChI=1S/C8H18O3Si.C2H3Si/c1-5-9-12(8-4,10-6-2)11-7-3;1-2-3/h8H,4-7H2,1-3H3;2H,1H2
InChIKeyFYFVZMGAGIQNQW-UHFFFAOYSA-N
XLogP2.06
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.45
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 176893127?
The IUPAC name of CID 176893127 (CID 176893127) is not available.
What is the SMILES notation for CID 176893127?
The canonical SMILES for CID 176893127 is C=C[Si].C=C[Si](OCC)(OCC)OCC.
What is the InChIKey of CID 176893127?
The InChIKey is FYFVZMGAGIQNQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O3Si.C2H3Si/c1-5-9-12(8-4,10-6-2)11-7-3;1-2-3/h8H,4-7H2,1-3H3;2H,1H2.
What are the key properties of CID 176893127?
CID 176893127 has a molecular weight of 245.45 g/mol, XLogP of 2.06, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 176893127 is sourced from PubChem (CID 176893127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).