(5R,10R)-10-[tert-butyl(diphenyl)silyl]oxyspiro[4.5]decan-4-one

C26H34O2Si — CID 10250796

IUPAC(5R,10R)-10-[tert-butyl(diphenyl)silyl]oxyspiro[4.5]decan-4-one
SMILESCC(C)(C)[Si](O[C@@H]1CCCC[C@@]12CCCC2=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H34O2Si/c1-25(2,3)29(21-13-6-4-7-14-21,22-15-8-5-9-16-22)28-24-18-10-11-19-26(24)20-12-17-23(26)27/h4-9,13-16,24H,10-12,17-20H2,1-3H3/t24-,26+/m1/s1
InChIKeyRMAXCELUKXUZSS-RSXGOPAZSA-N
MW406.64 g/mol
LogP5.24
Rot. Bonds4

About (5R,10R)-10-[tert-butyl(diphenyl)silyl]oxyspiro[4.5]decan-4-one

(5R,10R)-10-[tert-butyl(diphenyl)silyl]oxyspiro[4.5]decan-4-one (PubChem CID 10250796) has the molecular formula C26H34O2Si and a molecular weight of 406.64 g/mol. Its IUPAC name is (5R,10R)-10-[tert-butyl(diphenyl)silyl]oxyspiro[4.5]decan-4-one.

Molecular Properties

Compound Name(5R,10R)-10-[tert-butyl(diphenyl)silyl]oxyspiro[4.5]decan-4-one
PubChem CID10250796
Molecular FormulaC26H34O2Si
Molecular Weight406.64 g/mol
Exact Mass406.23
IUPAC Name(5R,10R)-10-[tert-butyl(diphenyl)silyl]oxyspiro[4.5]decan-4-one
SMILESCC(C)(C)[Si](O[C@@H]1CCCC[C@@]12CCCC2=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H34O2Si/c1-25(2,3)29(21-13-6-4-7-14-21,22-15-8-5-9-16-22)28-24-18-10-11-19-26(24)20-12-17-23(26)27/h4-9,13-16,24H,10-12,17-20H2,1-3H3/t24-,26+/m1/s1
InChIKeyRMAXCELUKXUZSS-RSXGOPAZSA-N
XLogP5.24
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.64
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(5R,9R)-9-[tert-butyl(diphenyl)silyl]oxyspiro[4.4]nonan-4-one
CID 10453157
9-[tert-butyl(dimethyl)silyl]oxyspiro[4.4]nonan-4-one
CID 10445764
(3aR,4R,7aS)-4-[tert-butyl(diphenyl)silyl]oxy-7a-methyl-3,3a,4,5,6,7-hexahydro-2H-inden-1-one
CID 11373147
tert-butyl-[(3R)-2,2-dimethyloxolan-3-yl]oxy-diphenylsilane
CID 125472963
(2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methylcyclohexan-1-one
CID 11014406
(6S,6aS)-6-[tert-butyl(diphenyl)silyl]oxy-6a-methyl-5,6-dihydro-4H-cyclopenta[b]furan-2-one
CID 152599118
[(3R,5S)-3-[tert-butyl(diphenyl)silyl]oxyspiro[4.5]dec-9-en-9-yl]methanol
CID 173098272
cis-(1R,2R)-2-[tert-butyl(diphenyl)silyl]oxycyclohexane-1-carbaldehyde
CID 58018792
2-[2-[tert-butyl(diphenyl)silyl]oxycyclohexyl]acetic acid
CID 68920543
2-[(1S,2R)-2-[tert-butyl(diphenyl)silyl]oxycyclohexyl]acetic acid
CID 68920538
tert-butyl-[[(8S)-7,7-dimethyl-1,4-dioxaspiro[4.5]decan-8-yl]oxy]-diphenylsilane
CID 146029391
(6S,11S)-11-phenylspiro[5.5]undecan-5-one
CID 102210888

Frequently Asked Questions

What is the IUPAC name of (5R,10R)-10-[tert-butyl(diphenyl)silyl]oxyspiro[4.5]decan-4-one?
The IUPAC name of (5R,10R)-10-[tert-butyl(diphenyl)silyl]oxyspiro[4.5]decan-4-one (CID 10250796) is (5R,10R)-10-[tert-butyl(diphenyl)silyl]oxyspiro[4.5]decan-4-one.
What is the SMILES notation for (5R,10R)-10-[tert-butyl(diphenyl)silyl]oxyspiro[4.5]decan-4-one?
The canonical SMILES for (5R,10R)-10-[tert-butyl(diphenyl)silyl]oxyspiro[4.5]decan-4-one is CC(C)(C)[Si](O[C@@H]1CCCC[C@@]12CCCC2=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of (5R,10R)-10-[tert-butyl(diphenyl)silyl]oxyspiro[4.5]decan-4-one?
The InChIKey is RMAXCELUKXUZSS-RSXGOPAZSA-N. The full InChI is InChI=1S/C26H34O2Si/c1-25(2,3)29(21-13-6-4-7-14-21,22-15-8-5-9-16-22)28-24-18-10-11-19-26(24)20-12-17-23(26)27/h4-9,13-16,24H,10-12,17-20H2,1-3H3/t24-,26+/m1/s1.
What are the key properties of (5R,10R)-10-[tert-butyl(diphenyl)silyl]oxyspiro[4.5]decan-4-one?
(5R,10R)-10-[tert-butyl(diphenyl)silyl]oxyspiro[4.5]decan-4-one has a molecular weight of 406.64 g/mol, XLogP of 5.24, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,10R)-10-[tert-butyl(diphenyl)silyl]oxyspiro[4.5]decan-4-one is sourced from PubChem (CID 10250796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).