4-methyloct-1-yn-4-ol;triethyl(triethylsilyloxy)silane

C21H46O2Si2 — CID 88799774

IUPAC4-methyloct-1-yn-4-ol;triethyl(triethylsilyloxy)silane
SMILESC#CCC(C)(O)CCCC.CC[Si](CC)(CC)O[Si](CC)(CC)CC
InChIInChI=1S/C12H30OSi2.C9H16O/c1-7-14(8-2,9-3)13-15(10-4,11-5)12-6;1-4-6-8-9(3,10)7-5-2/h7-12H2,1-6H3;2,10H,4,6-8H2,1,3H3
InChIKeyWXWMXFSLCGAGJW-UHFFFAOYSA-N
MW386.77 g/mol
LogP6.96
Rot. Bonds12

About 4-methyloct-1-yn-4-ol;triethyl(triethylsilyloxy)silane

4-methyloct-1-yn-4-ol;triethyl(triethylsilyloxy)silane (PubChem CID 88799774) has the molecular formula C21H46O2Si2 and a molecular weight of 386.77 g/mol. Its IUPAC name is 4-methyloct-1-yn-4-ol;triethyl(triethylsilyloxy)silane.

Molecular Properties

Compound Name4-methyloct-1-yn-4-ol;triethyl(triethylsilyloxy)silane
PubChem CID88799774
Molecular FormulaC21H46O2Si2
Molecular Weight386.77 g/mol
Exact Mass386.30
IUPAC Name4-methyloct-1-yn-4-ol;triethyl(triethylsilyloxy)silane
SMILESC#CCC(C)(O)CCCC.CC[Si](CC)(CC)O[Si](CC)(CC)CC
InChIInChI=1S/C12H30OSi2.C9H16O/c1-7-14(8-2,9-3)13-15(10-4,11-5)12-6;1-4-6-8-9(3,10)7-5-2/h7-12H2,1-6H3;2,10H,4,6-8H2,1,3H3
InChIKeyWXWMXFSLCGAGJW-UHFFFAOYSA-N
XLogP6.96
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.77
LogP ≤ 56.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methyloct-1-yn-4-ol;triethyl(triethylsilyloxy)silane?
The IUPAC name of 4-methyloct-1-yn-4-ol;triethyl(triethylsilyloxy)silane (CID 88799774) is 4-methyloct-1-yn-4-ol;triethyl(triethylsilyloxy)silane.
What is the SMILES notation for 4-methyloct-1-yn-4-ol;triethyl(triethylsilyloxy)silane?
The canonical SMILES for 4-methyloct-1-yn-4-ol;triethyl(triethylsilyloxy)silane is C#CCC(C)(O)CCCC.CC[Si](CC)(CC)O[Si](CC)(CC)CC.
What is the InChIKey of 4-methyloct-1-yn-4-ol;triethyl(triethylsilyloxy)silane?
The InChIKey is WXWMXFSLCGAGJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H30OSi2.C9H16O/c1-7-14(8-2,9-3)13-15(10-4,11-5)12-6;1-4-6-8-9(3,10)7-5-2/h7-12H2,1-6H3;2,10H,4,6-8H2,1,3H3.
What are the key properties of 4-methyloct-1-yn-4-ol;triethyl(triethylsilyloxy)silane?
4-methyloct-1-yn-4-ol;triethyl(triethylsilyloxy)silane has a molecular weight of 386.77 g/mol, XLogP of 6.96, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyloct-1-yn-4-ol;triethyl(triethylsilyloxy)silane is sourced from PubChem (CID 88799774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).