(4S)-4-[tert-butyl(diphenyl)silyl]oxy-4-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]butanal

C28H38O4Si — CID 53248433

IUPAC(4S)-4-[tert-butyl(diphenyl)silyl]oxy-4-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]butanal
SMILESCC(C)(C)[Si](O[C@@H](CCC=O)[C@H]1COC2(CCCCC2)O1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H38O4Si/c1-27(2,3)33(23-14-7-4-8-15-23,24-16-9-5-10-17-24)32-25(18-13-21-29)26-22-30-28(31-26)19-11-6-12-20-28/h4-5,7-10,14-17,21,25-26H,6,11-13,18-20,22H2,1-3H3/t25-,26+/m0/s1
InChIKeyXIIGYANNGWASJC-IZZNHLLZSA-N
MW466.69 g/mol
LogP4.99
Rot. Bonds8

About (4S)-4-[tert-butyl(diphenyl)silyl]oxy-4-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]butanal

(4S)-4-[tert-butyl(diphenyl)silyl]oxy-4-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]butanal (PubChem CID 53248433) has the molecular formula C28H38O4Si and a molecular weight of 466.69 g/mol. Its IUPAC name is (4S)-4-[tert-butyl(diphenyl)silyl]oxy-4-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]butanal.

Molecular Properties

Compound Name(4S)-4-[tert-butyl(diphenyl)silyl]oxy-4-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]butanal
PubChem CID53248433
Molecular FormulaC28H38O4Si
Molecular Weight466.69 g/mol
Exact Mass466.25
IUPAC Name(4S)-4-[tert-butyl(diphenyl)silyl]oxy-4-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]butanal
SMILESCC(C)(C)[Si](O[C@@H](CCC=O)[C@H]1COC2(CCCCC2)O1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H38O4Si/c1-27(2,3)33(23-14-7-4-8-15-23,24-16-9-5-10-17-24)32-25(18-13-21-29)26-22-30-28(31-26)19-11-6-12-20-28/h4-5,7-10,14-17,21,25-26H,6,11-13,18-20,22H2,1-3H3/t25-,26+/m0/s1
InChIKeyXIIGYANNGWASJC-IZZNHLLZSA-N
XLogP4.99
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.69
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-[(1R)-1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]but-3-enoxy]-diphenylsilane
CID 11597593
tert-butyl-[(1R)-1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]tridecoxy]-diphenylsilane
CID 102211926
(4S)-4-[tert-butyl(diphenyl)silyl]oxy-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]butan-2-ol
CID 132850699
tert-butyl-[4-(1,4-dioxaspiro[4.5]decan-3-yl)butoxy]-diphenylsilane
CID 102251326
ethyl (5S)-5-[tert-butyl(diphenyl)silyl]oxy-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]pent-2-ynoate
CID 10672385
tert-butyl-[2-[(4S)-1,5-dioxaspiro[5.5]undecan-4-yl]-2-methylpropoxy]-diphenylsilane
CID 57041576
(5S)-5-[tert-butyl(diphenyl)silyl]oxyhexanal
CID 24755231
(2R)-2-[tert-butyl(diphenyl)silyl]oxy-2-[(4S,5S)-5-[(1R)-1-[tert-butyl(diphenyl)silyl]oxy-2-oxoethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]acetaldehyde
CID 11072519
1-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclohexane-1-carbaldehyde
CID 58018780
(3R)-3-[tert-butyl(diphenyl)silyl]oxybutanal
CID 10936306
[(4aR,8R,8aR)-spiro[4,4a,8,8a-tetrahydropyrano[3,2-d][1,3]dioxine-2,1'-cyclohexane]-8-yl]oxy-tert-butyl-diphenylsilane
CID 99738182
4-[tert-butyl(dimethyl)silyl]oxy-6-[tert-butyl(diphenyl)silyl]oxyhexanal
CID 11420340

Frequently Asked Questions

What is the IUPAC name of (4S)-4-[tert-butyl(diphenyl)silyl]oxy-4-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]butanal?
The IUPAC name of (4S)-4-[tert-butyl(diphenyl)silyl]oxy-4-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]butanal (CID 53248433) is (4S)-4-[tert-butyl(diphenyl)silyl]oxy-4-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]butanal.
What is the SMILES notation for (4S)-4-[tert-butyl(diphenyl)silyl]oxy-4-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]butanal?
The canonical SMILES for (4S)-4-[tert-butyl(diphenyl)silyl]oxy-4-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]butanal is CC(C)(C)[Si](O[C@@H](CCC=O)[C@H]1COC2(CCCCC2)O1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (4S)-4-[tert-butyl(diphenyl)silyl]oxy-4-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]butanal?
The InChIKey is XIIGYANNGWASJC-IZZNHLLZSA-N. The full InChI is InChI=1S/C28H38O4Si/c1-27(2,3)33(23-14-7-4-8-15-23,24-16-9-5-10-17-24)32-25(18-13-21-29)26-22-30-28(31-26)19-11-6-12-20-28/h4-5,7-10,14-17,21,25-26H,6,11-13,18-20,22H2,1-3H3/t25-,26+/m0/s1.
What are the key properties of (4S)-4-[tert-butyl(diphenyl)silyl]oxy-4-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]butanal?
(4S)-4-[tert-butyl(diphenyl)silyl]oxy-4-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]butanal has a molecular weight of 466.69 g/mol, XLogP of 4.99, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[tert-butyl(diphenyl)silyl]oxy-4-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]butanal is sourced from PubChem (CID 53248433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).