2-[propan-2-yl-di(propan-2-yloxy)silyl]ethyl 2,4-dimethyl-2-propan-2-ylpentanoate

C21H44O4Si — CID 164806253

IUPAC2-[propan-2-yl-di(propan-2-yloxy)silyl]ethyl 2,4-dimethyl-2-propan-2-ylpentanoate
SMILESCC(C)CC(C)(C(=O)OCC[Si](OC(C)C)(OC(C)C)C(C)C)C(C)C
InChIInChI=1S/C21H44O4Si/c1-15(2)14-21(11,16(3)4)20(22)23-12-13-26(19(9)10,24-17(5)6)25-18(7)8/h15-19H,12-14H2,1-11H3
InChIKeyQZDUCQFRURVQTN-UHFFFAOYSA-N
MW388.67 g/mol
LogP5.94
Rot. Bonds12

About 2-[propan-2-yl-di(propan-2-yloxy)silyl]ethyl 2,4-dimethyl-2-propan-2-ylpentanoate

2-[propan-2-yl-di(propan-2-yloxy)silyl]ethyl 2,4-dimethyl-2-propan-2-ylpentanoate (PubChem CID 164806253) has the molecular formula C21H44O4Si and a molecular weight of 388.67 g/mol. Its IUPAC name is 2-[propan-2-yl-di(propan-2-yloxy)silyl]ethyl 2,4-dimethyl-2-propan-2-ylpentanoate.

Molecular Properties

Compound Name2-[propan-2-yl-di(propan-2-yloxy)silyl]ethyl 2,4-dimethyl-2-propan-2-ylpentanoate
PubChem CID164806253
Molecular FormulaC21H44O4Si
Molecular Weight388.67 g/mol
Exact Mass388.30
IUPAC Name2-[propan-2-yl-di(propan-2-yloxy)silyl]ethyl 2,4-dimethyl-2-propan-2-ylpentanoate
SMILESCC(C)CC(C)(C(=O)OCC[Si](OC(C)C)(OC(C)C)C(C)C)C(C)C
InChIInChI=1S/C21H44O4Si/c1-15(2)14-21(11,16(3)4)20(22)23-12-13-26(19(9)10,24-17(5)6)25-18(7)8/h15-19H,12-14H2,1-11H3
InChIKeyQZDUCQFRURVQTN-UHFFFAOYSA-N
XLogP5.94
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.67
LogP ≤ 55.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[(2S,3R)-3-methyl-4-oxohexan-2-yl] (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpentanoate
CID 10882872
ethyl (2S,3S)-3-ethyl-4-methyl-2-triethylsilylpentanoate
CID 138984282
[(3S,4R)-4-methyl-5-oxoheptan-3-yl] (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpentanoate
CID 11025129
Bis(2-trimethylsilylethyl) 2-(2-methylpropyl)-2-propan-2-ylpropanedioate
CID 17921907
Methyl 5-[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]-2-ethyl-2,4,4-trimethylpentanoate
CID 53784532
3-(2-Methylpropyl-propan-2-yl-propan-2-yloxysilyl)propyl 2,4-dimethyl-2-propan-2-ylpentanoate
CID 58160661
6-O-[3-[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl] 1-O-(2-methylpropyl) 2,2,4,5-tetramethylhexanedioate
CID 60032804
2-Methylpropyl 6-[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]-2,4-diethyl-2,5-dimethylhexanoate
CID 60140886
3-Trimethylsilylpropyl 2-ethyl-2,4,4-trimethylpentanoate
CID 88905095
3-Trimethylsilylpropyl 2-tert-butyl-2,4,4-trimethylpentanoate
CID 89115344
2-Trimethylsilylethyl 2-tert-butyl-2,4,4-trimethylpentanoate
CID 89477282
3-[3-[Tert-butyl(dimethyl)silyl]oxypentan-3-yl-dimethylsilyl]propyl 2-tert-butyl-2,4,4-trimethylpentanoate
CID 89545781

Frequently Asked Questions

What is the IUPAC name of 2-[propan-2-yl-di(propan-2-yloxy)silyl]ethyl 2,4-dimethyl-2-propan-2-ylpentanoate?
The IUPAC name of 2-[propan-2-yl-di(propan-2-yloxy)silyl]ethyl 2,4-dimethyl-2-propan-2-ylpentanoate (CID 164806253) is 2-[propan-2-yl-di(propan-2-yloxy)silyl]ethyl 2,4-dimethyl-2-propan-2-ylpentanoate.
What is the SMILES notation for 2-[propan-2-yl-di(propan-2-yloxy)silyl]ethyl 2,4-dimethyl-2-propan-2-ylpentanoate?
The canonical SMILES for 2-[propan-2-yl-di(propan-2-yloxy)silyl]ethyl 2,4-dimethyl-2-propan-2-ylpentanoate is CC(C)CC(C)(C(=O)OCC[Si](OC(C)C)(OC(C)C)C(C)C)C(C)C.
What is the InChIKey of 2-[propan-2-yl-di(propan-2-yloxy)silyl]ethyl 2,4-dimethyl-2-propan-2-ylpentanoate?
The InChIKey is QZDUCQFRURVQTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H44O4Si/c1-15(2)14-21(11,16(3)4)20(22)23-12-13-26(19(9)10,24-17(5)6)25-18(7)8/h15-19H,12-14H2,1-11H3.
What are the key properties of 2-[propan-2-yl-di(propan-2-yloxy)silyl]ethyl 2,4-dimethyl-2-propan-2-ylpentanoate?
2-[propan-2-yl-di(propan-2-yloxy)silyl]ethyl 2,4-dimethyl-2-propan-2-ylpentanoate has a molecular weight of 388.67 g/mol, XLogP of 5.94, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[propan-2-yl-di(propan-2-yloxy)silyl]ethyl 2,4-dimethyl-2-propan-2-ylpentanoate is sourced from PubChem (CID 164806253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).