trimethylsilylmethyl 9-[2-(2,2-dimethylbutanoyloxy)acetyl]oxy-2',2'-difluoro-10-oxospiro[3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecane-4,5'-cyclopentane]-1'-carboxylate

C24H34F2O11Si — CID 58445728

IUPACtrimethylsilylmethyl 9-[2-(2,2-dimethylbutanoyloxy)acetyl]oxy-2',2'-difluoro-10-oxospiro[3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecane-4,5'-cyclopentane]-1'-carboxylate
SMILESCCC(C)(C)C(=O)OCC(=O)OC1C(=O)OC2C3OC4(CCC(F)(F)C4C(=O)OC[Si](C)(C)C)OC3OC12
InChIInChI=1S/C24H34F2O11Si/c1-7-22(2,3)21(30)31-10-12(27)33-15-13-14(34-18(15)28)16-20(35-13)37-24(36-16)9-8-23(25,26)17(24)19(29)32-11-38(4,5)6/h13-17,20H,7-11H2,1-6H3
InChIKeyAUUBCEYTQTYTON-UHFFFAOYSA-N
MW564.61 g/mol
LogP2.11
Rot. Bonds8

About trimethylsilylmethyl 9-[2-(2,2-dimethylbutanoyloxy)acetyl]oxy-2',2'-difluoro-10-oxospiro[3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecane-4,5'-cyclopentane]-1'-carboxylate

trimethylsilylmethyl 9-[2-(2,2-dimethylbutanoyloxy)acetyl]oxy-2',2'-difluoro-10-oxospiro[3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecane-4,5'-cyclopentane]-1'-carboxylate (PubChem CID 58445728) has the molecular formula C24H34F2O11Si and a molecular weight of 564.61 g/mol. Its IUPAC name is trimethylsilylmethyl 9-[2-(2,2-dimethylbutanoyloxy)acetyl]oxy-2',2'-difluoro-10-oxospiro[3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecane-4,5'-cyclopentane]-1'-carboxylate.

Molecular Properties

Compound Nametrimethylsilylmethyl 9-[2-(2,2-dimethylbutanoyloxy)acetyl]oxy-2',2'-difluoro-10-oxospiro[3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecane-4,5'-cyclopentane]-1'-carboxylate
PubChem CID58445728
Molecular FormulaC24H34F2O11Si
Molecular Weight564.61 g/mol
Exact Mass564.18
IUPAC Nametrimethylsilylmethyl 9-[2-(2,2-dimethylbutanoyloxy)acetyl]oxy-2',2'-difluoro-10-oxospiro[3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecane-4,5'-cyclopentane]-1'-carboxylate
SMILESCCC(C)(C)C(=O)OCC(=O)OC1C(=O)OC2C3OC4(CCC(F)(F)C4C(=O)OC[Si](C)(C)C)OC3OC12
InChIInChI=1S/C24H34F2O11Si/c1-7-22(2,3)21(30)31-10-12(27)33-15-13-14(34-18(15)28)16-20(35-13)37-24(36-16)9-8-23(25,26)17(24)19(29)32-11-38(4,5)6/h13-17,20H,7-11H2,1-6H3
InChIKeyAUUBCEYTQTYTON-UHFFFAOYSA-N
XLogP2.11
TPSA132.89 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.61
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze trimethylsilylmethyl 9-[2-(2,2-dimethylbutanoyloxy)acetyl]oxy-2',2'-difluoro-10-oxospiro[3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecane-4,5'-cyclopentane]-1'-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of trimethylsilylmethyl 9-[2-(2,2-dimethylbutanoyloxy)acetyl]oxy-2',2'-difluoro-10-oxospiro[3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecane-4,5'-cyclopentane]-1'-carboxylate?
The IUPAC name of trimethylsilylmethyl 9-[2-(2,2-dimethylbutanoyloxy)acetyl]oxy-2',2'-difluoro-10-oxospiro[3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecane-4,5'-cyclopentane]-1'-carboxylate (CID 58445728) is trimethylsilylmethyl 9-[2-(2,2-dimethylbutanoyloxy)acetyl]oxy-2',2'-difluoro-10-oxospiro[3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecane-4,5'-cyclopentane]-1'-carboxylate.
What is the SMILES notation for trimethylsilylmethyl 9-[2-(2,2-dimethylbutanoyloxy)acetyl]oxy-2',2'-difluoro-10-oxospiro[3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecane-4,5'-cyclopentane]-1'-carboxylate?
The canonical SMILES for trimethylsilylmethyl 9-[2-(2,2-dimethylbutanoyloxy)acetyl]oxy-2',2'-difluoro-10-oxospiro[3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecane-4,5'-cyclopentane]-1'-carboxylate is CCC(C)(C)C(=O)OCC(=O)OC1C(=O)OC2C3OC4(CCC(F)(F)C4C(=O)OC[Si](C)(C)C)OC3OC12.
What is the InChIKey of trimethylsilylmethyl 9-[2-(2,2-dimethylbutanoyloxy)acetyl]oxy-2',2'-difluoro-10-oxospiro[3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecane-4,5'-cyclopentane]-1'-carboxylate?
The InChIKey is AUUBCEYTQTYTON-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34F2O11Si/c1-7-22(2,3)21(30)31-10-12(27)33-15-13-14(34-18(15)28)16-20(35-13)37-24(36-16)9-8-23(25,26)17(24)19(29)32-11-38(4,5)6/h13-17,20H,7-11H2,1-6H3.
What are the key properties of trimethylsilylmethyl 9-[2-(2,2-dimethylbutanoyloxy)acetyl]oxy-2',2'-difluoro-10-oxospiro[3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecane-4,5'-cyclopentane]-1'-carboxylate?
trimethylsilylmethyl 9-[2-(2,2-dimethylbutanoyloxy)acetyl]oxy-2',2'-difluoro-10-oxospiro[3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecane-4,5'-cyclopentane]-1'-carboxylate has a molecular weight of 564.61 g/mol, XLogP of 2.11, 8 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilylmethyl 9-[2-(2,2-dimethylbutanoyloxy)acetyl]oxy-2',2'-difluoro-10-oxospiro[3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecane-4,5'-cyclopentane]-1'-carboxylate is sourced from PubChem (CID 58445728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).