tributyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane

C20H40OSi — CID 156717714

IUPACtributyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane
SMILESCCCC[Si](CCCC)(CCCC)CCC1CCC2OC2C1
InChIInChI=1S/C20H40OSi/c1-4-7-13-22(14-8-5-2,15-9-6-3)16-12-18-10-11-19-20(17-18)21-19/h18-20H,4-17H2,1-3H3
InChIKeyBBCTYBCCROYGQQ-UHFFFAOYSA-N
MW324.63 g/mol
LogP6.79
Rot. Bonds12

About tributyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane

tributyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane (PubChem CID 156717714) has the molecular formula C20H40OSi and a molecular weight of 324.63 g/mol. Its IUPAC name is tributyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane.

Molecular Properties

Compound Nametributyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane
PubChem CID156717714
Molecular FormulaC20H40OSi
Molecular Weight324.63 g/mol
Exact Mass324.28
IUPAC Nametributyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane
SMILESCCCC[Si](CCCC)(CCCC)CCC1CCC2OC2C1
InChIInChI=1S/C20H40OSi/c1-4-7-13-22(14-8-5-2,15-9-6-3)16-12-18-10-11-19-20(17-18)21-19/h18-20H,4-17H2,1-3H3
InChIKeyBBCTYBCCROYGQQ-UHFFFAOYSA-N
XLogP6.79
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.63
LogP ≤ 56.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

hydroxy-tris[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane
CID 140784911
3-(7-oxabicyclo[4.1.0]heptan-3-yl)propyl-tripropoxysilane
CID 21267597
[dimethyl-[2-[(1R,3R,6R)-7-oxabicyclo[4.1.0]heptan-3-yl]ethyl]silyl]oxy-dimethyl-[2-[(1R,3S,6S)-7-oxabicyclo[4.1.0]heptan-3-yl]ethyl]silane
CID 99774414
[dimethyl-[2-[(1R,3R,6R)-7-oxabicyclo[4.1.0]heptan-3-yl]ethyl]silyl]oxy-dimethyl-[2-[(1R,3S,6R)-7-oxabicyclo[4.1.0]heptan-3-yl]ethyl]silane
CID 99774411
3-(2-butylsulfanylethyl)-7-oxabicyclo[4.1.0]heptane
CID 71426549
triethoxy-[2-[(1R,3R,6S)-7-oxabicyclo[4.1.0]heptan-3-yl]ethyl]silane
CID 99738442
diethyl-methoxy-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane
CID 22292681
[dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]oxy-[2-[[dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]oxy-dihydroxysilyl]ethyl]-dihydroxysilane
CID 140841095
3-(7-oxabicyclo[4.1.0]heptan-3-yl)propyl-tri(propan-2-yloxy)silane
CID 89156746
bis[[[dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]oxy-dimethylsilyl]oxy]-dimethylsilane
CID 102070616
triethoxy(propyl)silane;trimethoxy-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane
CID 175326463
trimethoxy-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane;3-trimethoxysilylpropane-1-thiol
CID 18692870

Frequently Asked Questions

What is the IUPAC name of tributyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane?
The IUPAC name of tributyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane (CID 156717714) is tributyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane.
What is the SMILES notation for tributyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane?
The canonical SMILES for tributyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane is CCCC[Si](CCCC)(CCCC)CCC1CCC2OC2C1.
What is the InChIKey of tributyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane?
The InChIKey is BBCTYBCCROYGQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40OSi/c1-4-7-13-22(14-8-5-2,15-9-6-3)16-12-18-10-11-19-20(17-18)21-19/h18-20H,4-17H2,1-3H3.
What are the key properties of tributyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane?
tributyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane has a molecular weight of 324.63 g/mol, XLogP of 6.79, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane is sourced from PubChem (CID 156717714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).