CID 57100854

C8H17O2Si — CID 57100854

IUPAC—
SMILESCC(C)OC(C[Si])OC(C)C
InChIInChI=1S/C8H17O2Si/c1-6(2)9-8(5-11)10-7(3)4/h6-8H,5H2,1-4H3
InChIKeyIINYYXXSWWKSDA-UHFFFAOYSA-N
MW173.31 g/mol
LogP1.75
Rot. Bonds5

About CID 57100854

CID 57100854 (PubChem CID 57100854) has the molecular formula C8H17O2Si and a molecular weight of 173.31 g/mol.

Molecular Properties

Compound NameCID 57100854
PubChem CID57100854
Molecular FormulaC8H17O2Si
Molecular Weight173.31 g/mol
Exact Mass173.10
IUPAC Name—
SMILESCC(C)OC(C[Si])OC(C)C
InChIInChI=1S/C8H17O2Si/c1-6(2)9-8(5-11)10-7(3)4/h6-8H,5H2,1-4H3
InChIKeyIINYYXXSWWKSDA-UHFFFAOYSA-N
XLogP1.75
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.31
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 57100854?
The IUPAC name of CID 57100854 (CID 57100854) is not available.
What is the SMILES notation for CID 57100854?
The canonical SMILES for CID 57100854 is CC(C)OC(C[Si])OC(C)C.
What is the InChIKey of CID 57100854?
The InChIKey is IINYYXXSWWKSDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17O2Si/c1-6(2)9-8(5-11)10-7(3)4/h6-8H,5H2,1-4H3.
What are the key properties of CID 57100854?
CID 57100854 has a molecular weight of 173.31 g/mol, XLogP of 1.75, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 57100854 is sourced from PubChem (CID 57100854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).