silyl 2,2-ditert-butyl-3-ethyl-4,4-dimethylpentanoate

C17H36O2Si — CID 173469925

IUPACsilyl 2,2-ditert-butyl-3-ethyl-4,4-dimethylpentanoate
SMILESCCC(C(C)(C)C)C(C(=O)O[SiH3])(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C17H36O2Si/c1-11-12(14(2,3)4)17(13(18)19-20,15(5,6)7)16(8,9)10/h12H,11H2,1-10,20H3
InChIKeyGRAPXWNDJSFIIE-UHFFFAOYSA-N
MW300.56 g/mol
LogP3.96
Rot. Bonds3

About silyl 2,2-ditert-butyl-3-ethyl-4,4-dimethylpentanoate

silyl 2,2-ditert-butyl-3-ethyl-4,4-dimethylpentanoate (PubChem CID 173469925) has the molecular formula C17H36O2Si and a molecular weight of 300.56 g/mol. Its IUPAC name is silyl 2,2-ditert-butyl-3-ethyl-4,4-dimethylpentanoate.

Molecular Properties

Compound Namesilyl 2,2-ditert-butyl-3-ethyl-4,4-dimethylpentanoate
PubChem CID173469925
Molecular FormulaC17H36O2Si
Molecular Weight300.56 g/mol
Exact Mass300.25
IUPAC Namesilyl 2,2-ditert-butyl-3-ethyl-4,4-dimethylpentanoate
SMILESCCC(C(C)(C)C)C(C(=O)O[SiH3])(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C17H36O2Si/c1-11-12(14(2,3)4)17(13(18)19-20,15(5,6)7)16(8,9)10/h12H,11H2,1-10,20H3
InChIKeyGRAPXWNDJSFIIE-UHFFFAOYSA-N
XLogP3.96
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.56
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

silyl 2,2,3-trimethylhexanoate
CID 123494675
silyl 2,2,3-triethylhexanoate
CID 173470037
silyl 2,2,4,4,5-pentamethylhexanoate
CID 173390543
silyl 2-ethyl-2-propylpentanoate
CID 173274588
ethyl 3-tert-butyl-4,4-dimethylpentanoate
CID 22372628
silyl 2-ethyl-2-ethynylbut-3-ynoate
CID 123459846
2,2-dimethylbutaneperoxoate
CID 171460044
bis((3,4-ditert-butyl-5,5-dimethylhexan-4-yl)phosphane);palladium
CID 87443818
2-methylbutan-2-yl carbonochloridate
CID 15051328
CID 175352105
CID 175352105
pentan-3-yl 2,2-dimethylpropanoate
CID 58621886
iodomethyl 2,2-dimethylbutanoate
CID 14459667

Frequently Asked Questions

What is the IUPAC name of silyl 2,2-ditert-butyl-3-ethyl-4,4-dimethylpentanoate?
The IUPAC name of silyl 2,2-ditert-butyl-3-ethyl-4,4-dimethylpentanoate (CID 173469925) is silyl 2,2-ditert-butyl-3-ethyl-4,4-dimethylpentanoate.
What is the SMILES notation for silyl 2,2-ditert-butyl-3-ethyl-4,4-dimethylpentanoate?
The canonical SMILES for silyl 2,2-ditert-butyl-3-ethyl-4,4-dimethylpentanoate is CCC(C(C)(C)C)C(C(=O)O[SiH3])(C(C)(C)C)C(C)(C)C.
What is the InChIKey of silyl 2,2-ditert-butyl-3-ethyl-4,4-dimethylpentanoate?
The InChIKey is GRAPXWNDJSFIIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36O2Si/c1-11-12(14(2,3)4)17(13(18)19-20,15(5,6)7)16(8,9)10/h12H,11H2,1-10,20H3.
What are the key properties of silyl 2,2-ditert-butyl-3-ethyl-4,4-dimethylpentanoate?
silyl 2,2-ditert-butyl-3-ethyl-4,4-dimethylpentanoate has a molecular weight of 300.56 g/mol, XLogP of 3.96, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for silyl 2,2-ditert-butyl-3-ethyl-4,4-dimethylpentanoate is sourced from PubChem (CID 173469925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).