tris[[dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]oxy]-phenylsilane

C36H62O6Si4 — CID 23496348

IUPACtris[[dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]oxy]-phenylsilane
SMILESC[Si](C)(CCC1CCC2OC2C1)O[Si](O[Si](C)(C)CCC1CCC2OC2C1)(O[Si](C)(C)CCC1CCC2OC2C1)c1ccccc1
InChIInChI=1S/C36H62O6Si4/c1-43(2,21-18-27-12-15-31-34(24-27)37-31)40-46(30-10-8-7-9-11-30,41-44(3,4)22-19-28-13-16-32-35(25-28)38-32)42-45(5,6)23-20-29-14-17-33-36(26-29)39-33/h7-11,27-29,31-36H,12-26H2,1-6H3
InChIKeySSPYIJAQNMBGTA-UHFFFAOYSA-N
MW703.23 g/mol
LogP8.37
Rot. Bonds16

About tris[[dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]oxy]-phenylsilane

tris[[dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]oxy]-phenylsilane (PubChem CID 23496348) has the molecular formula C36H62O6Si4 and a molecular weight of 703.23 g/mol. Its IUPAC name is tris[[dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]oxy]-phenylsilane.

Molecular Properties

Compound Nametris[[dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]oxy]-phenylsilane
PubChem CID23496348
Molecular FormulaC36H62O6Si4
Molecular Weight703.23 g/mol
Exact Mass702.36
IUPAC Nametris[[dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]oxy]-phenylsilane
SMILESC[Si](C)(CCC1CCC2OC2C1)O[Si](O[Si](C)(C)CCC1CCC2OC2C1)(O[Si](C)(C)CCC1CCC2OC2C1)c1ccccc1
InChIInChI=1S/C36H62O6Si4/c1-43(2,21-18-27-12-15-31-34(24-27)37-31)40-46(30-10-8-7-9-11-30,41-44(3,4)22-19-28-13-16-32-35(25-28)38-32)42-45(5,6)23-20-29-14-17-33-36(26-29)39-33/h7-11,27-29,31-36H,12-26H2,1-6H3
InChIKeySSPYIJAQNMBGTA-UHFFFAOYSA-N
XLogP8.37
TPSA65.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500703.23
LogP ≤ 58.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tris[[dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]oxy]-phenylsilane?
The IUPAC name of tris[[dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]oxy]-phenylsilane (CID 23496348) is tris[[dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]oxy]-phenylsilane.
What is the SMILES notation for tris[[dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]oxy]-phenylsilane?
The canonical SMILES for tris[[dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]oxy]-phenylsilane is C[Si](C)(CCC1CCC2OC2C1)O[Si](O[Si](C)(C)CCC1CCC2OC2C1)(O[Si](C)(C)CCC1CCC2OC2C1)c1ccccc1.
What is the InChIKey of tris[[dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]oxy]-phenylsilane?
The InChIKey is SSPYIJAQNMBGTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H62O6Si4/c1-43(2,21-18-27-12-15-31-34(24-27)37-31)40-46(30-10-8-7-9-11-30,41-44(3,4)22-19-28-13-16-32-35(25-28)38-32)42-45(5,6)23-20-29-14-17-33-36(26-29)39-33/h7-11,27-29,31-36H,12-26H2,1-6H3.
What are the key properties of tris[[dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]oxy]-phenylsilane?
tris[[dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]oxy]-phenylsilane has a molecular weight of 703.23 g/mol, XLogP of 8.37, 16 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tris[[dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]oxy]-phenylsilane is sourced from PubChem (CID 23496348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).