Tributoxysilan

C12H27O3Si — CID 12617008

IUPAC—
SMILESCCCCO[Si](OCCCC)OCCCC
InChIInChI=1S/C12H27O3Si/c1-4-7-10-13-16(14-11-8-5-2)15-12-9-6-3/h4-12H2,1-3H3
InChIKeyWIBMQCMDDDVXDN-UHFFFAOYSA-N
MW247.43 g/mol
LogP3.42
Rot. Bonds12

About Tributoxysilan

Tributoxysilan (PubChem CID 12617008) has the molecular formula C12H27O3Si and a molecular weight of 247.43 g/mol.

Molecular Properties

Compound NameTributoxysilan
PubChem CID12617008
Molecular FormulaC12H27O3Si
Molecular Weight247.43 g/mol
Exact Mass247.17
IUPAC Name—
SMILESCCCCO[Si](OCCCC)OCCCC
InChIInChI=1S/C12H27O3Si/c1-4-7-10-13-16(14-11-8-5-2)15-12-9-6-3/h4-12H2,1-3H3
InChIKeyWIBMQCMDDDVXDN-UHFFFAOYSA-N
XLogP3.42
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.43
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 Tributoxysilan?
The IUPAC name of Tributoxysilan (CID 12617008) is not available.
What is the SMILES notation for Tributoxysilan?
The canonical SMILES for Tributoxysilan is CCCCO[Si](OCCCC)OCCCC.
What is the InChIKey of Tributoxysilan?
The InChIKey is WIBMQCMDDDVXDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27O3Si/c1-4-7-10-13-16(14-11-8-5-2)15-12-9-6-3/h4-12H2,1-3H3.
What are the key properties of Tributoxysilan?
Tributoxysilan has a molecular weight of 247.43 g/mol, XLogP of 3.42, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for Tributoxysilan is sourced from PubChem (CID 12617008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).