CID 20793304

C24H57O7Si6 — CID 20793304

IUPAC—
SMILESCCO[Si](CC[Si](C)(O[Si](C)(C)C)O[Si](C)(CCC1CCC2OC2C1)O[Si](C)(C)O[Si](C)(C)C)OCC
InChIInChI=1S/C24H57O7Si6/c1-13-25-32(26-14-2)18-20-37(12,29-34(6,7)8)31-36(11,30-35(9,10)28-33(3,4)5)19-17-22-15-16-23-24(21-22)27-23/h22-24H,13-21H2,1-12H3
InChIKeyKJOFFDSKBHNFGI-UHFFFAOYSA-N
MW626.23 g/mol
LogP7.09
Rot. Bonds18

About CID 20793304

CID 20793304 (PubChem CID 20793304) has the molecular formula C24H57O7Si6 and a molecular weight of 626.23 g/mol.

Molecular Properties

Compound NameCID 20793304
PubChem CID20793304
Molecular FormulaC24H57O7Si6
Molecular Weight626.23 g/mol
Exact Mass625.27
IUPAC Name—
SMILESCCO[Si](CC[Si](C)(O[Si](C)(C)C)O[Si](C)(CCC1CCC2OC2C1)O[Si](C)(C)O[Si](C)(C)C)OCC
InChIInChI=1S/C24H57O7Si6/c1-13-25-32(26-14-2)18-20-37(12,29-34(6,7)8)31-36(11,30-35(9,10)28-33(3,4)5)19-17-22-15-16-23-24(21-22)27-23/h22-24H,13-21H2,1-12H3
InChIKeyKJOFFDSKBHNFGI-UHFFFAOYSA-N
XLogP7.09
TPSA67.91 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds18
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500626.23
LogP ≤ 57.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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(trimethylsilyloxy)silyl]oxy-[methoxy(dimethyl)silyl]oxy-methyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane
CID 18710036
[dimethyl(silyl)silyl]oxy-[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane
CID 158590504
CID 20793302
CID 20793302
bis[[[dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]oxy-dimethylsilyl]oxy]-dimethylsilane
CID 102070616
[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
bis[[dimethoxy-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]oxy]-dimethylsilane
CID 59882614
triethoxy-[2-[(1R,3R,6S)-7-oxabicyclo[4.1.0]heptan-3-yl]ethyl]silane
CID 99738442
[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-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]oxy-[dimethyl(2-trimethoxysilylethyl)silyl]oxy-dimethylsilane
CID 101151102
bis[[[dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]oxy-methyl-(3,3,3-trifluoropropyl)silyl]oxy]-methyl-(3,3,3-trifluoropropyl)silane
CID 102070617
diethyl-methoxy-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane
CID 22292681

Frequently Asked Questions

What is the IUPAC name of CID 20793304?
The IUPAC name of CID 20793304 (CID 20793304) is not available.
What is the SMILES notation for CID 20793304?
The canonical SMILES for CID 20793304 is CCO[Si](CC[Si](C)(O[Si](C)(C)C)O[Si](C)(CCC1CCC2OC2C1)O[Si](C)(C)O[Si](C)(C)C)OCC.
What is the InChIKey of CID 20793304?
The InChIKey is KJOFFDSKBHNFGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H57O7Si6/c1-13-25-32(26-14-2)18-20-37(12,29-34(6,7)8)31-36(11,30-35(9,10)28-33(3,4)5)19-17-22-15-16-23-24(21-22)27-23/h22-24H,13-21H2,1-12H3.
What are the key properties of CID 20793304?
CID 20793304 has a molecular weight of 626.23 g/mol, XLogP of 7.09, 18 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for CID 20793304 is sourced from PubChem (CID 20793304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).