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

C24H40O4Si — CID 140784911

IUPAChydroxy-tris[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane
SMILESO[Si](CCC1CCC2OC2C1)(CCC1CCC2OC2C1)CCC1CCC2OC2C1
InChIInChI=1S/C24H40O4Si/c25-29(10-7-16-1-4-19-22(13-16)26-19,11-8-17-2-5-20-23(14-17)27-20)12-9-18-3-6-21-24(15-18)28-21/h16-25H,1-15H2
InChIKeyUHVRKPYDKPQEPJ-UHFFFAOYSA-N
MW420.67 g/mol
LogP4.80
Rot. Bonds9

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

hydroxy-tris[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane (PubChem CID 140784911) has the molecular formula C24H40O4Si and a molecular weight of 420.67 g/mol. Its IUPAC name is hydroxy-tris[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane.

Molecular Properties

Compound Namehydroxy-tris[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane
PubChem CID140784911
Molecular FormulaC24H40O4Si
Molecular Weight420.67 g/mol
Exact Mass420.27
IUPAC Namehydroxy-tris[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane
SMILESO[Si](CCC1CCC2OC2C1)(CCC1CCC2OC2C1)CCC1CCC2OC2C1
InChIInChI=1S/C24H40O4Si/c25-29(10-7-16-1-4-19-22(13-16)26-19,11-8-17-2-5-20-23(14-17)27-20)12-9-18-3-6-21-24(15-18)28-21/h16-25H,1-15H2
InChIKeyUHVRKPYDKPQEPJ-UHFFFAOYSA-N
XLogP4.80
TPSA57.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.67
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

[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
[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
tributyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane
CID 156717714
bis[[[dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]oxy-dimethylsilyl]oxy]-dimethylsilane
CID 102070616
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
bis[[dimethoxy-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]oxy]-dimethylsilane
CID 59882614
3-(7-oxabicyclo[4.1.0]heptan-3-yl)propyl-tri(propan-2-yloxy)silane
CID 89156746
hydroxy-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]-oxosilane
CID 4166920
CID 22630444
CID 22630444
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 hydroxy-tris[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane?
The IUPAC name of hydroxy-tris[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane (CID 140784911) is hydroxy-tris[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane.
What is the SMILES notation for hydroxy-tris[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane?
The canonical SMILES for hydroxy-tris[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane is O[Si](CCC1CCC2OC2C1)(CCC1CCC2OC2C1)CCC1CCC2OC2C1.
What is the InChIKey of hydroxy-tris[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane?
The InChIKey is UHVRKPYDKPQEPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H40O4Si/c25-29(10-7-16-1-4-19-22(13-16)26-19,11-8-17-2-5-20-23(14-17)27-20)12-9-18-3-6-21-24(15-18)28-21/h16-25H,1-15H2.
What are the key properties of hydroxy-tris[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane?
hydroxy-tris[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane has a molecular weight of 420.67 g/mol, XLogP of 4.80, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-tris[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane is sourced from PubChem (CID 140784911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).