butoxy-hexan-3-yloxy-dimethylsilane

C12H28O2Si — CID 91730324

IUPACbutoxy-hexan-3-yloxy-dimethylsilane
SMILESCCCCO[Si](C)(C)OC(CC)CCC
InChIInChI=1S/C12H28O2Si/c1-6-9-11-13-15(4,5)14-12(8-3)10-7-2/h12H,6-11H2,1-5H3
InChIKeyZQEXWOMGMAWHIP-UHFFFAOYSA-N
MW232.44 g/mol
LogP4.10
Rot. Bonds9

About butoxy-hexan-3-yloxy-dimethylsilane

butoxy-hexan-3-yloxy-dimethylsilane (PubChem CID 91730324) has the molecular formula C12H28O2Si and a molecular weight of 232.44 g/mol. Its IUPAC name is butoxy-hexan-3-yloxy-dimethylsilane.

Molecular Properties

Compound Namebutoxy-hexan-3-yloxy-dimethylsilane
PubChem CID91730324
Molecular FormulaC12H28O2Si
Molecular Weight232.44 g/mol
Exact Mass232.19
IUPAC Namebutoxy-hexan-3-yloxy-dimethylsilane
SMILESCCCCO[Si](C)(C)OC(CC)CCC
InChIInChI=1S/C12H28O2Si/c1-6-9-11-13-15(4,5)14-12(8-3)10-7-2/h12H,6-11H2,1-5H3
InChIKeyZQEXWOMGMAWHIP-UHFFFAOYSA-N
XLogP4.10
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
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-hexan-3-yloxy-dimethylsilane?
The IUPAC name of butoxy-hexan-3-yloxy-dimethylsilane (CID 91730324) is butoxy-hexan-3-yloxy-dimethylsilane.
What is the SMILES notation for butoxy-hexan-3-yloxy-dimethylsilane?
The canonical SMILES for butoxy-hexan-3-yloxy-dimethylsilane is CCCCO[Si](C)(C)OC(CC)CCC.
What is the InChIKey of butoxy-hexan-3-yloxy-dimethylsilane?
The InChIKey is ZQEXWOMGMAWHIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28O2Si/c1-6-9-11-13-15(4,5)14-12(8-3)10-7-2/h12H,6-11H2,1-5H3.
What are the key properties of butoxy-hexan-3-yloxy-dimethylsilane?
butoxy-hexan-3-yloxy-dimethylsilane has a molecular weight of 232.44 g/mol, XLogP of 4.10, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butoxy-hexan-3-yloxy-dimethylsilane is sourced from PubChem (CID 91730324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).