2,2-ditert-butyl-5,8-dimethyl-1,3,2-benzodioxasilin-4-one

C17H26O3Si — CID 528205

IUPAC2,2-ditert-butyl-5,8-dimethyl-1,3,2-benzodioxasilin-4-one
SMILESCc1ccc(C)c2c1O[Si](C(C)(C)C)(C(C)(C)C)OC2=O
InChIInChI=1S/C17H26O3Si/c1-11-9-10-12(2)14-13(11)15(18)20-21(19-14,16(3,4)5)17(6,7)8/h9-10H,1-8H3
InChIKeyUMYUCQMALOGMND-UHFFFAOYSA-N
MW306.48 g/mol
LogP4.90
Rot. Bonds

About 2,2-ditert-butyl-5,8-dimethyl-1,3,2-benzodioxasilin-4-one

2,2-ditert-butyl-5,8-dimethyl-1,3,2-benzodioxasilin-4-one (PubChem CID 528205) has the molecular formula C17H26O3Si and a molecular weight of 306.48 g/mol. Its IUPAC name is 2,2-ditert-butyl-5,8-dimethyl-1,3,2-benzodioxasilin-4-one.

Molecular Properties

Compound Name2,2-ditert-butyl-5,8-dimethyl-1,3,2-benzodioxasilin-4-one
PubChem CID528205
Molecular FormulaC17H26O3Si
Molecular Weight306.48 g/mol
Exact Mass306.17
IUPAC Name2,2-ditert-butyl-5,8-dimethyl-1,3,2-benzodioxasilin-4-one
SMILESCc1ccc(C)c2c1O[Si](C(C)(C)C)(C(C)(C)C)OC2=O
InChIInChI=1S/C17H26O3Si/c1-11-9-10-12(2)14-13(11)15(18)20-21(19-14,16(3,4)5)17(6,7)8/h9-10H,1-8H3
InChIKeyUMYUCQMALOGMND-UHFFFAOYSA-N
XLogP4.90
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.48
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-ditert-butyl-5,8-dimethyl-1,3,2-benzodioxasilin-4-one?
The IUPAC name of 2,2-ditert-butyl-5,8-dimethyl-1,3,2-benzodioxasilin-4-one (CID 528205) is 2,2-ditert-butyl-5,8-dimethyl-1,3,2-benzodioxasilin-4-one.
What is the SMILES notation for 2,2-ditert-butyl-5,8-dimethyl-1,3,2-benzodioxasilin-4-one?
The canonical SMILES for 2,2-ditert-butyl-5,8-dimethyl-1,3,2-benzodioxasilin-4-one is Cc1ccc(C)c2c1O[Si](C(C)(C)C)(C(C)(C)C)OC2=O.
What is the InChIKey of 2,2-ditert-butyl-5,8-dimethyl-1,3,2-benzodioxasilin-4-one?
The InChIKey is UMYUCQMALOGMND-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O3Si/c1-11-9-10-12(2)14-13(11)15(18)20-21(19-14,16(3,4)5)17(6,7)8/h9-10H,1-8H3.
What are the key properties of 2,2-ditert-butyl-5,8-dimethyl-1,3,2-benzodioxasilin-4-one?
2,2-ditert-butyl-5,8-dimethyl-1,3,2-benzodioxasilin-4-one has a molecular weight of 306.48 g/mol, XLogP of 4.90, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-ditert-butyl-5,8-dimethyl-1,3,2-benzodioxasilin-4-one is sourced from PubChem (CID 528205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).