butoxy-hexoxy-dimethylsilane

C12H28O2Si — CID 525760

IUPACbutoxy-hexoxy-dimethylsilane
SMILESCCCCCCO[Si](C)(C)OCCCC
InChIInChI=1S/C12H28O2Si/c1-5-7-9-10-12-14-15(3,4)13-11-8-6-2/h5-12H2,1-4H3
InChIKeyCWVLQFZRVDQNBH-UHFFFAOYSA-N
MW232.44 g/mol
LogP4.10
Rot. Bonds10

About butoxy-hexoxy-dimethylsilane

butoxy-hexoxy-dimethylsilane (PubChem CID 525760) has the molecular formula C12H28O2Si and a molecular weight of 232.44 g/mol. Its IUPAC name is butoxy-hexoxy-dimethylsilane.

Molecular Properties

Compound Namebutoxy-hexoxy-dimethylsilane
PubChem CID525760
Molecular FormulaC12H28O2Si
Molecular Weight232.44 g/mol
Exact Mass232.19
IUPAC Namebutoxy-hexoxy-dimethylsilane
SMILESCCCCCCO[Si](C)(C)OCCCC
InChIInChI=1S/C12H28O2Si/c1-5-7-9-10-12-14-15(3,4)13-11-8-6-2/h5-12H2,1-4H3
InChIKeyCWVLQFZRVDQNBH-UHFFFAOYSA-N
XLogP4.10
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.44
LogP ≤ 54.10
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'}

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Frequently Asked Questions

What is the IUPAC name of butoxy-hexoxy-dimethylsilane?
The IUPAC name of butoxy-hexoxy-dimethylsilane (CID 525760) is butoxy-hexoxy-dimethylsilane.
What is the SMILES notation for butoxy-hexoxy-dimethylsilane?
The canonical SMILES for butoxy-hexoxy-dimethylsilane is CCCCCCO[Si](C)(C)OCCCC.
What is the InChIKey of butoxy-hexoxy-dimethylsilane?
The InChIKey is CWVLQFZRVDQNBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28O2Si/c1-5-7-9-10-12-14-15(3,4)13-11-8-6-2/h5-12H2,1-4H3.
What are the key properties of butoxy-hexoxy-dimethylsilane?
butoxy-hexoxy-dimethylsilane has a molecular weight of 232.44 g/mol, XLogP of 4.10, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butoxy-hexoxy-dimethylsilane is sourced from PubChem (CID 525760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).