[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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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).