(7R)-7-[tert-butyl(diphenyl)silyl]oxy-1,4-dioxaspiro[4.5]decan-8-one

C24H30O4Si — CID 67092775

IUPAC(7R)-7-[tert-butyl(diphenyl)silyl]oxy-1,4-dioxaspiro[4.5]decan-8-one
SMILESCC(C)(C)[Si](O[C@@H]1CC2(CCC1=O)OCCO2)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H30O4Si/c1-23(2,3)29(19-10-6-4-7-11-19,20-12-8-5-9-13-20)28-22-18-24(15-14-21(22)25)26-16-17-27-24/h4-13,22H,14-18H2,1-3H3/t22-/m1/s1
InChIKeyRJBJDVUPDJNFLT-JOCHJYFZSA-N
MW410.59 g/mol
LogP3.43
Rot. Bonds4

About (7R)-7-[tert-butyl(diphenyl)silyl]oxy-1,4-dioxaspiro[4.5]decan-8-one

(7R)-7-[tert-butyl(diphenyl)silyl]oxy-1,4-dioxaspiro[4.5]decan-8-one (PubChem CID 67092775) has the molecular formula C24H30O4Si and a molecular weight of 410.59 g/mol. Its IUPAC name is (7R)-7-[tert-butyl(diphenyl)silyl]oxy-1,4-dioxaspiro[4.5]decan-8-one.

Molecular Properties

Compound Name(7R)-7-[tert-butyl(diphenyl)silyl]oxy-1,4-dioxaspiro[4.5]decan-8-one
PubChem CID67092775
Molecular FormulaC24H30O4Si
Molecular Weight410.59 g/mol
Exact Mass410.19
IUPAC Name(7R)-7-[tert-butyl(diphenyl)silyl]oxy-1,4-dioxaspiro[4.5]decan-8-one
SMILESCC(C)(C)[Si](O[C@@H]1CC2(CCC1=O)OCCO2)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H30O4Si/c1-23(2,3)29(19-10-6-4-7-11-19,20-12-8-5-9-13-20)28-22-18-24(15-14-21(22)25)26-16-17-27-24/h4-13,22H,14-18H2,1-3H3/t22-/m1/s1
InChIKeyRJBJDVUPDJNFLT-JOCHJYFZSA-N
XLogP3.43
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.59
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Launch Full Analysis

Related Compounds

tert-butyl-[[(8S)-7,7-dimethyl-1,4-dioxaspiro[4.5]decan-8-yl]oxy]-diphenylsilane
CID 146029391
tert-butyl-[(3R)-2,2-dimethyloxolan-3-yl]oxy-diphenylsilane
CID 125472963
(2R,4S)-4-[tert-butyl(diphenyl)silyl]oxy-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]oxolan-3-one
CID 12039244
7-(2,3,4,5,6-pentamethylphenoxy)-1,4-dioxaspiro[4.5]decan-8-one
CID 134216232
tert-butyl-cyclopent-3-en-1-yloxy-diphenylsilane
CID 11347853
(1R,3aR,8Z,9aR)-1-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethyl-3,3a,4,6,7,9a-hexahydro-1H-cyclopenta[8]annulen-5-one
CID 11026683
tert-butyl-[2-[(4S)-1,5-dioxaspiro[5.5]undecan-4-yl]-2-methylpropoxy]-diphenylsilane
CID 57041576
methyl (8-oxo-1,4-dioxaspiro[4.5]decan-7-yl) carbonate
CID 134867325
(5R,9R)-9-[tert-butyl(diphenyl)silyl]oxyspiro[4.4]nonan-4-one
CID 10453157
(7S)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,4-dioxaspiro[4.5]decan-8-one
CID 134855082
trans-(2S,4S)-4-[tert-butyl(diphenyl)silyl]oxy-2-(1,3-dioxan-2-yl)cyclohexan-1-one
CID 10252605
(5R,10R)-10-[tert-butyl(diphenyl)silyl]oxyspiro[4.5]decan-4-one
CID 10250796

Frequently Asked Questions

What is the IUPAC name of (7R)-7-[tert-butyl(diphenyl)silyl]oxy-1,4-dioxaspiro[4.5]decan-8-one?
The IUPAC name of (7R)-7-[tert-butyl(diphenyl)silyl]oxy-1,4-dioxaspiro[4.5]decan-8-one (CID 67092775) is (7R)-7-[tert-butyl(diphenyl)silyl]oxy-1,4-dioxaspiro[4.5]decan-8-one.
What is the SMILES notation for (7R)-7-[tert-butyl(diphenyl)silyl]oxy-1,4-dioxaspiro[4.5]decan-8-one?
The canonical SMILES for (7R)-7-[tert-butyl(diphenyl)silyl]oxy-1,4-dioxaspiro[4.5]decan-8-one is CC(C)(C)[Si](O[C@@H]1CC2(CCC1=O)OCCO2)(c1ccccc1)c1ccccc1.
What is the InChIKey of (7R)-7-[tert-butyl(diphenyl)silyl]oxy-1,4-dioxaspiro[4.5]decan-8-one?
The InChIKey is RJBJDVUPDJNFLT-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H30O4Si/c1-23(2,3)29(19-10-6-4-7-11-19,20-12-8-5-9-13-20)28-22-18-24(15-14-21(22)25)26-16-17-27-24/h4-13,22H,14-18H2,1-3H3/t22-/m1/s1.
What are the key properties of (7R)-7-[tert-butyl(diphenyl)silyl]oxy-1,4-dioxaspiro[4.5]decan-8-one?
(7R)-7-[tert-butyl(diphenyl)silyl]oxy-1,4-dioxaspiro[4.5]decan-8-one has a molecular weight of 410.59 g/mol, XLogP of 3.43, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-7-[tert-butyl(diphenyl)silyl]oxy-1,4-dioxaspiro[4.5]decan-8-one is sourced from PubChem (CID 67092775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).