CID 155616762

C8H16O4Si — CID 155616762

IUPAC—
SMILESC=CC[Si]OCC(OC)(OC)OC
InChIInChI=1S/C8H16O4Si/c1-5-6-13-12-7-8(9-2,10-3)11-4/h5H,1,6-7H2,2-4H3
InChIKeyZHSJZPCFKDEWBG-UHFFFAOYSA-N
MW204.30 g/mol
LogP0.82
Rot. Bonds8

About CID 155616762

CID 155616762 (PubChem CID 155616762) has the molecular formula C8H16O4Si and a molecular weight of 204.30 g/mol.

Molecular Properties

Compound NameCID 155616762
PubChem CID155616762
Molecular FormulaC8H16O4Si
Molecular Weight204.30 g/mol
Exact Mass204.08
IUPAC Name—
SMILESC=CC[Si]OCC(OC)(OC)OC
InChIInChI=1S/C8H16O4Si/c1-5-6-13-12-7-8(9-2,10-3)11-4/h5H,1,6-7H2,2-4H3
InChIKeyZHSJZPCFKDEWBG-UHFFFAOYSA-N
XLogP0.82
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.30
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 155616762?
The IUPAC name of CID 155616762 (CID 155616762) is not available.
What is the SMILES notation for CID 155616762?
The canonical SMILES for CID 155616762 is C=CC[Si]OCC(OC)(OC)OC.
What is the InChIKey of CID 155616762?
The InChIKey is ZHSJZPCFKDEWBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O4Si/c1-5-6-13-12-7-8(9-2,10-3)11-4/h5H,1,6-7H2,2-4H3.
What are the key properties of CID 155616762?
CID 155616762 has a molecular weight of 204.30 g/mol, XLogP of 0.82, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 155616762 is sourced from PubChem (CID 155616762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).