CID 155641380

C8H16O2Si — CID 155641380

IUPAC
SMILESC=CCCC[Si]OCCOC
InChIInChI=1S/C8H16O2Si/c1-3-4-5-8-11-10-7-6-9-2/h3H,1,4-8H2,2H3
InChIKeyZXXFFRYKIVHRAV-UHFFFAOYSA-N
MW172.30 g/mol
LogP1.65
Rot. Bonds8

About CID 155641380

CID 155641380 (PubChem CID 155641380) has the molecular formula C8H16O2Si and a molecular weight of 172.30 g/mol.

Molecular Properties

Compound NameCID 155641380
PubChem CID155641380
Molecular FormulaC8H16O2Si
Molecular Weight172.30 g/mol
Exact Mass172.09
IUPAC Name
SMILESC=CCCC[Si]OCCOC
InChIInChI=1S/C8H16O2Si/c1-3-4-5-8-11-10-7-6-9-2/h3H,1,4-8H2,2H3
InChIKeyZXXFFRYKIVHRAV-UHFFFAOYSA-N
XLogP1.65
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms11
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.30
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 155641380?
The IUPAC name of CID 155641380 (CID 155641380) is not available.
What is the SMILES notation for CID 155641380?
The canonical SMILES for CID 155641380 is C=CCCC[Si]OCCOC.
What is the InChIKey of CID 155641380?
The InChIKey is ZXXFFRYKIVHRAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2Si/c1-3-4-5-8-11-10-7-6-9-2/h3H,1,4-8H2,2H3.
What are the key properties of CID 155641380?
CID 155641380 has a molecular weight of 172.30 g/mol, XLogP of 1.65, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 155641380 is sourced from PubChem (CID 155641380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).