2,2-dimethyl-6-(1,2,2-triphenylpropoxy)oxasilinane

C27H32O2Si — CID 175135089

IUPAC2,2-dimethyl-6-(1,2,2-triphenylpropoxy)oxasilinane
SMILESCC(c1ccccc1)(c1ccccc1)C(OC1CCC[Si](C)(C)O1)c1ccccc1
InChIInChI=1S/C27H32O2Si/c1-27(23-16-9-5-10-17-23,24-18-11-6-12-19-24)26(22-14-7-4-8-15-22)28-25-20-13-21-30(2,3)29-25/h4-12,14-19,25-26H,13,20-21H2,1-3H3
InChIKeyLKJWDAYNHBWMON-UHFFFAOYSA-N
MW416.64 g/mol
LogP7.09
Rot. Bonds6

About 2,2-dimethyl-6-(1,2,2-triphenylpropoxy)oxasilinane

2,2-dimethyl-6-(1,2,2-triphenylpropoxy)oxasilinane (PubChem CID 175135089) has the molecular formula C27H32O2Si and a molecular weight of 416.64 g/mol. Its IUPAC name is 2,2-dimethyl-6-(1,2,2-triphenylpropoxy)oxasilinane.

Molecular Properties

Compound Name2,2-dimethyl-6-(1,2,2-triphenylpropoxy)oxasilinane
PubChem CID175135089
Molecular FormulaC27H32O2Si
Molecular Weight416.64 g/mol
Exact Mass416.22
IUPAC Name2,2-dimethyl-6-(1,2,2-triphenylpropoxy)oxasilinane
SMILESCC(c1ccccc1)(c1ccccc1)C(OC1CCC[Si](C)(C)O1)c1ccccc1
InChIInChI=1S/C27H32O2Si/c1-27(23-16-9-5-10-17-23,24-18-11-6-12-19-24)26(22-14-7-4-8-15-22)28-25-20-13-21-30(2,3)29-25/h4-12,14-19,25-26H,13,20-21H2,1-3H3
InChIKeyLKJWDAYNHBWMON-UHFFFAOYSA-N
XLogP7.09
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.64
LogP ≤ 57.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-6-(1,2,2-triphenylpropoxy)oxasilinane?
The IUPAC name of 2,2-dimethyl-6-(1,2,2-triphenylpropoxy)oxasilinane (CID 175135089) is 2,2-dimethyl-6-(1,2,2-triphenylpropoxy)oxasilinane.
What is the SMILES notation for 2,2-dimethyl-6-(1,2,2-triphenylpropoxy)oxasilinane?
The canonical SMILES for 2,2-dimethyl-6-(1,2,2-triphenylpropoxy)oxasilinane is CC(c1ccccc1)(c1ccccc1)C(OC1CCC[Si](C)(C)O1)c1ccccc1.
What is the InChIKey of 2,2-dimethyl-6-(1,2,2-triphenylpropoxy)oxasilinane?
The InChIKey is LKJWDAYNHBWMON-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32O2Si/c1-27(23-16-9-5-10-17-23,24-18-11-6-12-19-24)26(22-14-7-4-8-15-22)28-25-20-13-21-30(2,3)29-25/h4-12,14-19,25-26H,13,20-21H2,1-3H3.
What are the key properties of 2,2-dimethyl-6-(1,2,2-triphenylpropoxy)oxasilinane?
2,2-dimethyl-6-(1,2,2-triphenylpropoxy)oxasilinane has a molecular weight of 416.64 g/mol, XLogP of 7.09, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-6-(1,2,2-triphenylpropoxy)oxasilinane is sourced from PubChem (CID 175135089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).