(2R)-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-1,4-dioxaspiro[4.5]decan-3-one

C26H34O4Si — CID 164670831

IUPAC(2R)-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-1,4-dioxaspiro[4.5]decan-3-one
SMILESCC(C)(C)[Si](OCC[C@H]1OC2(CCCCC2)OC1=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H34O4Si/c1-25(2,3)31(21-13-7-4-8-14-21,22-15-9-5-10-16-22)28-20-17-23-24(27)30-26(29-23)18-11-6-12-19-26/h4-5,7-10,13-16,23H,6,11-12,17-20H2,1-3H3/t23-/m1/s1
InChIKeyCEUWXVYRUOPNRY-HSZRJFAPSA-N
MW438.64 g/mol
LogP4.56
Rot. Bonds6

About (2R)-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-1,4-dioxaspiro[4.5]decan-3-one

(2R)-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-1,4-dioxaspiro[4.5]decan-3-one (PubChem CID 164670831) has the molecular formula C26H34O4Si and a molecular weight of 438.64 g/mol. Its IUPAC name is (2R)-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-1,4-dioxaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name(2R)-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-1,4-dioxaspiro[4.5]decan-3-one
PubChem CID164670831
Molecular FormulaC26H34O4Si
Molecular Weight438.64 g/mol
Exact Mass438.22
IUPAC Name(2R)-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-1,4-dioxaspiro[4.5]decan-3-one
SMILESCC(C)(C)[Si](OCC[C@H]1OC2(CCCCC2)OC1=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H34O4Si/c1-25(2,3)31(21-13-7-4-8-14-21,22-15-9-5-10-16-22)28-20-17-23-24(27)30-26(29-23)18-11-6-12-19-26/h4-5,7-10,13-16,23H,6,11-12,17-20H2,1-3H3/t23-/m1/s1
InChIKeyCEUWXVYRUOPNRY-HSZRJFAPSA-N
XLogP4.56
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.64
LogP ≤ 54.56
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 (2R)-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-1,4-dioxaspiro[4.5]decan-3-one?
The IUPAC name of (2R)-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-1,4-dioxaspiro[4.5]decan-3-one (CID 164670831) is (2R)-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-1,4-dioxaspiro[4.5]decan-3-one.
What is the SMILES notation for (2R)-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-1,4-dioxaspiro[4.5]decan-3-one?
The canonical SMILES for (2R)-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-1,4-dioxaspiro[4.5]decan-3-one is CC(C)(C)[Si](OCC[C@H]1OC2(CCCCC2)OC1=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of (2R)-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-1,4-dioxaspiro[4.5]decan-3-one?
The InChIKey is CEUWXVYRUOPNRY-HSZRJFAPSA-N. The full InChI is InChI=1S/C26H34O4Si/c1-25(2,3)31(21-13-7-4-8-14-21,22-15-9-5-10-16-22)28-20-17-23-24(27)30-26(29-23)18-11-6-12-19-26/h4-5,7-10,13-16,23H,6,11-12,17-20H2,1-3H3/t23-/m1/s1.
What are the key properties of (2R)-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-1,4-dioxaspiro[4.5]decan-3-one?
(2R)-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-1,4-dioxaspiro[4.5]decan-3-one has a molecular weight of 438.64 g/mol, XLogP of 4.56, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-1,4-dioxaspiro[4.5]decan-3-one is sourced from PubChem (CID 164670831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).