1-ethyl-1-octoxysilinane

C15H32OSi — CID 614794

IUPAC1-ethyl-1-octoxysilinane
SMILESCCCCCCCCO[Si]1(CC)CCCCC1
InChIInChI=1S/C15H32OSi/c1-3-5-6-7-8-10-13-16-17(4-2)14-11-9-12-15-17/h3-15H2,1-2H3
InChIKeyYQSHFZIVXXONRV-UHFFFAOYSA-N
MW256.51 g/mol
LogP5.51
Rot. Bonds9

About 1-ethyl-1-octoxysilinane

1-ethyl-1-octoxysilinane (PubChem CID 614794) has the molecular formula C15H32OSi and a molecular weight of 256.51 g/mol. Its IUPAC name is 1-ethyl-1-octoxysilinane.

Molecular Properties

Compound Name1-ethyl-1-octoxysilinane
PubChem CID614794
Molecular FormulaC15H32OSi
Molecular Weight256.51 g/mol
Exact Mass256.22
IUPAC Name1-ethyl-1-octoxysilinane
SMILESCCCCCCCCO[Si]1(CC)CCCCC1
InChIInChI=1S/C15H32OSi/c1-3-5-6-7-8-10-13-16-17(4-2)14-11-9-12-15-17/h3-15H2,1-2H3
InChIKeyYQSHFZIVXXONRV-UHFFFAOYSA-N
XLogP5.51
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500256.51
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1-octoxysilinane?
The IUPAC name of 1-ethyl-1-octoxysilinane (CID 614794) is 1-ethyl-1-octoxysilinane.
What is the SMILES notation for 1-ethyl-1-octoxysilinane?
The canonical SMILES for 1-ethyl-1-octoxysilinane is CCCCCCCCO[Si]1(CC)CCCCC1.
What is the InChIKey of 1-ethyl-1-octoxysilinane?
The InChIKey is YQSHFZIVXXONRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32OSi/c1-3-5-6-7-8-10-13-16-17(4-2)14-11-9-12-15-17/h3-15H2,1-2H3.
What are the key properties of 1-ethyl-1-octoxysilinane?
1-ethyl-1-octoxysilinane has a molecular weight of 256.51 g/mol, XLogP of 5.51, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1-octoxysilinane is sourced from PubChem (CID 614794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).