propan-2-yl 5-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(dimethyl)silyl]oxymethyl]pentanoate

C21H46O4Si2 — CID 167430533

IUPACpropan-2-yl 5-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(dimethyl)silyl]oxymethyl]pentanoate
SMILESCC(C)OC(=O)CCC(CO[Si](C)(C)C(C)(C)C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H46O4Si2/c1-17(2)25-19(22)14-13-18(15-23-26(9,10)20(3,4)5)16-24-27(11,12)21(6,7)8/h17-18H,13-16H2,1-12H3
InChIKeyFUKGIUMRSFYCAW-UHFFFAOYSA-N
MW418.77 g/mol
LogP6.38
Rot. Bonds10

About propan-2-yl 5-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(dimethyl)silyl]oxymethyl]pentanoate

propan-2-yl 5-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(dimethyl)silyl]oxymethyl]pentanoate (PubChem CID 167430533) has the molecular formula C21H46O4Si2 and a molecular weight of 418.77 g/mol. Its IUPAC name is propan-2-yl 5-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(dimethyl)silyl]oxymethyl]pentanoate.

Molecular Properties

Compound Namepropan-2-yl 5-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(dimethyl)silyl]oxymethyl]pentanoate
PubChem CID167430533
Molecular FormulaC21H46O4Si2
Molecular Weight418.77 g/mol
Exact Mass418.29
IUPAC Namepropan-2-yl 5-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(dimethyl)silyl]oxymethyl]pentanoate
SMILESCC(C)OC(=O)CCC(CO[Si](C)(C)C(C)(C)C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H46O4Si2/c1-17(2)25-19(22)14-13-18(15-23-26(9,10)20(3,4)5)16-24-27(11,12)21(6,7)8/h17-18H,13-16H2,1-12H3
InChIKeyFUKGIUMRSFYCAW-UHFFFAOYSA-N
XLogP6.38
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.77
LogP ≤ 56.38
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

propan-2-yl 2-[tert-butyl(dimethyl)silyl]oxyacetate
CID 14922737
methyl (4S)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylpentanoate
CID 11737070
(2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropanoic acid
CID 87766399
(5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methylheptan-2-one
CID 11043924
3-[[tert-butyl(dimethyl)silyl]oxymethyl]hexane-1,5-diol
CID 174174824
methyl (3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylbutanoate
CID 11817464
methyl (4R)-6-[tert-butyl(dimethyl)silyl]oxy-4-methylhexanoate
CID 11219571
1-[tert-butyl(dimethyl)silyl]oxypropan-2-ol
CID 13175134
ethyl 5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxypentanoate;ethyl 4,5-dihydroxypentanoate
CID 158562183
1-[tert-butyl(dimethyl)silyl]oxy-2-methylpentan-3-one
CID 72819705
tert-butyl 5-[tert-butyl-[[tert-butyl(dimethyl)silyl]oxymethyl]-methylsilyl]oxy-4-methylpentanoate
CID 156726772
(3R)-4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxybutan-2-one
CID 11672982

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 5-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(dimethyl)silyl]oxymethyl]pentanoate?
The IUPAC name of propan-2-yl 5-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(dimethyl)silyl]oxymethyl]pentanoate (CID 167430533) is propan-2-yl 5-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(dimethyl)silyl]oxymethyl]pentanoate.
What is the SMILES notation for propan-2-yl 5-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(dimethyl)silyl]oxymethyl]pentanoate?
The canonical SMILES for propan-2-yl 5-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(dimethyl)silyl]oxymethyl]pentanoate is CC(C)OC(=O)CCC(CO[Si](C)(C)C(C)(C)C)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of propan-2-yl 5-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(dimethyl)silyl]oxymethyl]pentanoate?
The InChIKey is FUKGIUMRSFYCAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H46O4Si2/c1-17(2)25-19(22)14-13-18(15-23-26(9,10)20(3,4)5)16-24-27(11,12)21(6,7)8/h17-18H,13-16H2,1-12H3.
What are the key properties of propan-2-yl 5-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(dimethyl)silyl]oxymethyl]pentanoate?
propan-2-yl 5-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(dimethyl)silyl]oxymethyl]pentanoate has a molecular weight of 418.77 g/mol, XLogP of 6.38, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 5-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(dimethyl)silyl]oxymethyl]pentanoate is sourced from PubChem (CID 167430533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).