[3-[(1-hydroxy-2-methylpropan-2-yl)-di(propan-2-yl)silyl]oxycyclopentyl] acetate

C17H34O4Si — CID 162446424

IUPAC[3-[(1-hydroxy-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)C1
InChIInChI=1S/C17H34O4Si/c1-12(2)22(13(3)4,17(6,7)11-18)21-16-9-8-15(10-16)20-14(5)19/h12-13,15-16,18H,8-11H2,1-7H3
InChIKeyUKOQOXVBLAXTST-UHFFFAOYSA-N
MW330.54 g/mol
LogP4.03
Rot. Bonds7

About [3-[(1-hydroxy-2-methylpropan-2-yl)-di(propan-2-yl)silyl]oxycyclopentyl] acetate

[3-[(1-hydroxy-2-methylpropan-2-yl)-di(propan-2-yl)silyl]oxycyclopentyl] acetate (PubChem CID 162446424) has the molecular formula C17H34O4Si and a molecular weight of 330.54 g/mol. Its IUPAC name is [3-[(1-hydroxy-2-methylpropan-2-yl)-di(propan-2-yl)silyl]oxycyclopentyl] acetate.

Molecular Properties

Compound Name[3-[(1-hydroxy-2-methylpropan-2-yl)-di(propan-2-yl)silyl]oxycyclopentyl] acetate
PubChem CID162446424
Molecular FormulaC17H34O4Si
Molecular Weight330.54 g/mol
Exact Mass330.22
IUPAC Name[3-[(1-hydroxy-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)C1
InChIInChI=1S/C17H34O4Si/c1-12(2)22(13(3)4,17(6,7)11-18)21-16-9-8-15(10-16)20-14(5)19/h12-13,15-16,18H,8-11H2,1-7H3
InChIKeyUKOQOXVBLAXTST-UHFFFAOYSA-N
XLogP4.03
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.54
LogP ≤ 54.03
H-Bond Donors ≤ 51
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-hydroxy-2-methylpropan-2-yl)-di(propan-2-yl)silyl]oxycyclopentyl] acetate?
The IUPAC name of [3-[(1-hydroxy-2-methylpropan-2-yl)-di(propan-2-yl)silyl]oxycyclopentyl] acetate (CID 162446424) is [3-[(1-hydroxy-2-methylpropan-2-yl)-di(propan-2-yl)silyl]oxycyclopentyl] acetate.
What is the SMILES notation for [3-[(1-hydroxy-2-methylpropan-2-yl)-di(propan-2-yl)silyl]oxycyclopentyl] acetate?
The canonical SMILES for [3-[(1-hydroxy-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)C1.
What is the InChIKey of [3-[(1-hydroxy-2-methylpropan-2-yl)-di(propan-2-yl)silyl]oxycyclopentyl] acetate?
The InChIKey is UKOQOXVBLAXTST-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34O4Si/c1-12(2)22(13(3)4,17(6,7)11-18)21-16-9-8-15(10-16)20-14(5)19/h12-13,15-16,18H,8-11H2,1-7H3.
What are the key properties of [3-[(1-hydroxy-2-methylpropan-2-yl)-di(propan-2-yl)silyl]oxycyclopentyl] acetate?
[3-[(1-hydroxy-2-methylpropan-2-yl)-di(propan-2-yl)silyl]oxycyclopentyl] acetate has a molecular weight of 330.54 g/mol, XLogP of 4.03, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(1-hydroxy-2-methylpropan-2-yl)-di(propan-2-yl)silyl]oxycyclopentyl] acetate is sourced from PubChem (CID 162446424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).