dimethyl-[2-(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)propyl]-triphenylsilyloxysilane

C30H38O2Si2 — CID 58372468

IUPACdimethyl-[2-(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)propyl]-triphenylsilyloxysilane
SMILESCC(C[Si](C)(C)O[Si](c1ccccc1)(c1ccccc1)c1ccccc1)C1CCC2(C)OC2C1
InChIInChI=1S/C30H38O2Si2/c1-24(25-20-21-30(2)29(22-25)31-30)23-33(3,4)32-34(26-14-8-5-9-15-26,27-16-10-6-11-17-27)28-18-12-7-13-19-28/h5-19,24-25,29H,20-23H2,1-4H3
InChIKeyQFVUFQMOFLKYEF-UHFFFAOYSA-N
MW486.80 g/mol
LogP5.47
Rot. Bonds8

About dimethyl-[2-(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)propyl]-triphenylsilyloxysilane

dimethyl-[2-(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)propyl]-triphenylsilyloxysilane (PubChem CID 58372468) has the molecular formula C30H38O2Si2 and a molecular weight of 486.80 g/mol. Its IUPAC name is dimethyl-[2-(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)propyl]-triphenylsilyloxysilane.

Molecular Properties

Compound Namedimethyl-[2-(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)propyl]-triphenylsilyloxysilane
PubChem CID58372468
Molecular FormulaC30H38O2Si2
Molecular Weight486.80 g/mol
Exact Mass486.24
IUPAC Namedimethyl-[2-(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)propyl]-triphenylsilyloxysilane
SMILESCC(C[Si](C)(C)O[Si](c1ccccc1)(c1ccccc1)c1ccccc1)C1CCC2(C)OC2C1
InChIInChI=1S/C30H38O2Si2/c1-24(25-20-21-30(2)29(22-25)31-30)23-33(3,4)32-34(26-14-8-5-9-15-26,27-16-10-6-11-17-27)28-18-12-7-13-19-28/h5-19,24-25,29H,20-23H2,1-4H3
InChIKeyQFVUFQMOFLKYEF-UHFFFAOYSA-N
XLogP5.47
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.80
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dimethyl-[2-(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)propyl]-triphenylsilyloxysilane?
The IUPAC name of dimethyl-[2-(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)propyl]-triphenylsilyloxysilane (CID 58372468) is dimethyl-[2-(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)propyl]-triphenylsilyloxysilane.
What is the SMILES notation for dimethyl-[2-(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)propyl]-triphenylsilyloxysilane?
The canonical SMILES for dimethyl-[2-(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)propyl]-triphenylsilyloxysilane is CC(C[Si](C)(C)O[Si](c1ccccc1)(c1ccccc1)c1ccccc1)C1CCC2(C)OC2C1.
What is the InChIKey of dimethyl-[2-(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)propyl]-triphenylsilyloxysilane?
The InChIKey is QFVUFQMOFLKYEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H38O2Si2/c1-24(25-20-21-30(2)29(22-25)31-30)23-33(3,4)32-34(26-14-8-5-9-15-26,27-16-10-6-11-17-27)28-18-12-7-13-19-28/h5-19,24-25,29H,20-23H2,1-4H3.
What are the key properties of dimethyl-[2-(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)propyl]-triphenylsilyloxysilane?
dimethyl-[2-(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)propyl]-triphenylsilyloxysilane has a molecular weight of 486.80 g/mol, XLogP of 5.47, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[2-(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)propyl]-triphenylsilyloxysilane is sourced from PubChem (CID 58372468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).