CID 54316608

C8H17OSi — CID 54316608

IUPAC—
SMILESCC(=O)CC(C)(C)[Si](C)C
InChIInChI=1S/C8H17OSi/c1-7(9)6-8(2,3)10(4)5/h6H2,1-5H3
InChIKeySOQDVYBFGICULY-UHFFFAOYSA-N
MW157.31 g/mol
LogP2.50
Rot. Bonds3

About CID 54316608

CID 54316608 (PubChem CID 54316608) has the molecular formula C8H17OSi and a molecular weight of 157.31 g/mol.

Molecular Properties

Compound NameCID 54316608
PubChem CID54316608
Molecular FormulaC8H17OSi
Molecular Weight157.31 g/mol
Exact Mass157.10
IUPAC Name—
SMILESCC(=O)CC(C)(C)[Si](C)C
InChIInChI=1S/C8H17OSi/c1-7(9)6-8(2,3)10(4)5/h6H2,1-5H3
InChIKeySOQDVYBFGICULY-UHFFFAOYSA-N
XLogP2.50
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.31
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 54316608?
The IUPAC name of CID 54316608 (CID 54316608) is not available.
What is the SMILES notation for CID 54316608?
The canonical SMILES for CID 54316608 is CC(=O)CC(C)(C)[Si](C)C.
What is the InChIKey of CID 54316608?
The InChIKey is SOQDVYBFGICULY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17OSi/c1-7(9)6-8(2,3)10(4)5/h6H2,1-5H3.
What are the key properties of CID 54316608?
CID 54316608 has a molecular weight of 157.31 g/mol, XLogP of 2.50, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 54316608 is sourced from PubChem (CID 54316608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).