[3-[[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-di(propan-2-yl)silyl]oxycyclopentyl] acetate

C23H48O4Si2 — CID 162446416

IUPAC[3-[[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-di(propan-2-yl)silyl]oxycyclopentyl] acetate
SMILESCC(=O)OC1CCC(O[Si](C(C)C)(C(C)C)C(C)(C)CO[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C23H48O4Si2/c1-17(2)29(18(3)4,27-21-14-13-20(15-21)26-19(5)24)23(9,10)16-25-28(11,12)22(6,7)8/h17-18,20-21H,13-16H2,1-12H3
InChIKeyREQWUTSGQFHMTR-UHFFFAOYSA-N
MW444.81 g/mol
LogP7.05
Rot. Bonds9

About [3-[[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-di(propan-2-yl)silyl]oxycyclopentyl] acetate

[3-[[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-di(propan-2-yl)silyl]oxycyclopentyl] acetate (PubChem CID 162446416) has the molecular formula C23H48O4Si2 and a molecular weight of 444.81 g/mol. Its IUPAC name is [3-[[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-di(propan-2-yl)silyl]oxycyclopentyl] acetate.

Molecular Properties

Compound Name[3-[[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-di(propan-2-yl)silyl]oxycyclopentyl] acetate
PubChem CID162446416
Molecular FormulaC23H48O4Si2
Molecular Weight444.81 g/mol
Exact Mass444.31
IUPAC Name[3-[[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-di(propan-2-yl)silyl]oxycyclopentyl] acetate
SMILESCC(=O)OC1CCC(O[Si](C(C)C)(C(C)C)C(C)(C)CO[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C23H48O4Si2/c1-17(2)29(18(3)4,27-21-14-13-20(15-21)26-19(5)24)23(9,10)16-25-28(11,12)22(6,7)8/h17-18,20-21H,13-16H2,1-12H3
InChIKeyREQWUTSGQFHMTR-UHFFFAOYSA-N
XLogP7.05
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.81
LogP ≤ 57.05
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

[(1R,3S)-3-[tert-butyl(dimethyl)silyl]oxycyclopentyl] acetate
CID 54211622
[3-[tert-butyl(dimethyl)silyl]oxy-5-oxocyclohexyl] acetate
CID 21335008
[(1S,4R)-4-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-yl] acetate
CID 10978542
[3-(2-oxopropyl)cyclopentyl] acetate
CID 71394247
2-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]acetic acid
CID 86587109
[(1S,3R)-3-(2-chloro-2-oxoethyl)cyclopentyl] acetate
CID 127260731
ethyl 3-[tert-butyl(dimethyl)silyl]oxycyclopentane-1-carboxylate
CID 141450623
[(5R)-5-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]thiolan-2-yl] acetate
CID 10812763
[(3R)-4-[tert-butyl(dimethyl)silyl]oxy-3-methyl-3-tri(propan-2-yl)silyloxybutyl] acetate
CID 10884543
[(1S,4R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-4-hydroxycyclohept-2-en-1-yl] acetate
CID 11012042
[3-[tert-butyl(dimethyl)silyl]oxy-2-cyclobutylpropyl] acetate
CID 140781546
(3R)-4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxybutan-2-one
CID 11672982

Frequently Asked Questions

What is the IUPAC name of [3-[[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-di(propan-2-yl)silyl]oxycyclopentyl] acetate?
The IUPAC name of [3-[[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-di(propan-2-yl)silyl]oxycyclopentyl] acetate (CID 162446416) is [3-[[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-di(propan-2-yl)silyl]oxycyclopentyl] acetate.
What is the SMILES notation for [3-[[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-di(propan-2-yl)silyl]oxycyclopentyl] acetate?
The canonical SMILES for [3-[[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-di(propan-2-yl)silyl]oxycyclopentyl] acetate is CC(=O)OC1CCC(O[Si](C(C)C)(C(C)C)C(C)(C)CO[Si](C)(C)C(C)(C)C)C1.
What is the InChIKey of [3-[[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-di(propan-2-yl)silyl]oxycyclopentyl] acetate?
The InChIKey is REQWUTSGQFHMTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H48O4Si2/c1-17(2)29(18(3)4,27-21-14-13-20(15-21)26-19(5)24)23(9,10)16-25-28(11,12)22(6,7)8/h17-18,20-21H,13-16H2,1-12H3.
What are the key properties of [3-[[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-di(propan-2-yl)silyl]oxycyclopentyl] acetate?
[3-[[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-di(propan-2-yl)silyl]oxycyclopentyl] acetate has a molecular weight of 444.81 g/mol, XLogP of 7.05, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-di(propan-2-yl)silyl]oxycyclopentyl] acetate is sourced from PubChem (CID 162446416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).