tert-butyl-[(1R)-1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]but-3-enoxy]-diphenylsilane

C28H38O3Si — CID 11597593

IUPACtert-butyl-[(1R)-1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]but-3-enoxy]-diphenylsilane
SMILESC=CC[C@@H](O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@H]1COC2(CCCCC2)O1
InChIInChI=1S/C28H38O3Si/c1-5-15-25(26-22-29-28(30-26)20-13-8-14-21-28)31-32(27(2,3)4,23-16-9-6-10-17-23)24-18-11-7-12-19-24/h5-7,9-12,16-19,25-26H,1,8,13-15,20-22H2,2-4H3/t25-,26-/m1/s1
InChIKeyBRPIZZSXGOILIZ-CLJLJLNGSA-N
MW450.70 g/mol
LogP5.58
Rot. Bonds7

About tert-butyl-[(1R)-1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]but-3-enoxy]-diphenylsilane

tert-butyl-[(1R)-1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]but-3-enoxy]-diphenylsilane (PubChem CID 11597593) has the molecular formula C28H38O3Si and a molecular weight of 450.70 g/mol. Its IUPAC name is tert-butyl-[(1R)-1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]but-3-enoxy]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[(1R)-1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]but-3-enoxy]-diphenylsilane
PubChem CID11597593
Molecular FormulaC28H38O3Si
Molecular Weight450.70 g/mol
Exact Mass450.26
IUPAC Nametert-butyl-[(1R)-1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]but-3-enoxy]-diphenylsilane
SMILESC=CC[C@@H](O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@H]1COC2(CCCCC2)O1
InChIInChI=1S/C28H38O3Si/c1-5-15-25(26-22-29-28(30-26)20-13-8-14-21-28)31-32(27(2,3)4,23-16-9-6-10-17-23)24-18-11-7-12-19-24/h5-7,9-12,16-19,25-26H,1,8,13-15,20-22H2,2-4H3/t25-,26-/m1/s1
InChIKeyBRPIZZSXGOILIZ-CLJLJLNGSA-N
XLogP5.58
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.70
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze tert-butyl-[(1R)-1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]but-3-enoxy]-diphenylsilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4S)-4-[tert-butyl(diphenyl)silyl]oxy-4-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]butanal
CID 53248433
tert-butyl-[(1R)-1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]tridecoxy]-diphenylsilane
CID 102211926
(3aS,6S,6aS)-6-[(1S)-1-[tert-butyl(diphenyl)silyl]oxybut-3-enyl]-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one
CID 25227816
(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
(3S)-3-[(2R)-1-phenylmethoxypent-4-en-2-yl]-1,4-dioxaspiro[4.5]decane
CID 71477674
tert-butyl-[2-[(4S)-1,5-dioxaspiro[5.5]undecan-4-yl]-2-methylpropoxy]-diphenylsilane
CID 57041576
[(1R)-1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]but-3-enyl] 4-nitrobenzoate
CID 134845532
1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]but-3-en-1-ol
CID 13483391
ethyl (5S)-5-[tert-butyl(diphenyl)silyl]oxy-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]pent-2-ynoate
CID 10672385
[(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
(1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]but-3-en-2-ol
CID 62707054

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(1R)-1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]but-3-enoxy]-diphenylsilane?
The IUPAC name of tert-butyl-[(1R)-1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]but-3-enoxy]-diphenylsilane (CID 11597593) is tert-butyl-[(1R)-1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]but-3-enoxy]-diphenylsilane.
What is the SMILES notation for tert-butyl-[(1R)-1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]but-3-enoxy]-diphenylsilane?
The canonical SMILES for tert-butyl-[(1R)-1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]but-3-enoxy]-diphenylsilane is C=CC[C@@H](O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@H]1COC2(CCCCC2)O1.
What is the InChIKey of tert-butyl-[(1R)-1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]but-3-enoxy]-diphenylsilane?
The InChIKey is BRPIZZSXGOILIZ-CLJLJLNGSA-N. The full InChI is InChI=1S/C28H38O3Si/c1-5-15-25(26-22-29-28(30-26)20-13-8-14-21-28)31-32(27(2,3)4,23-16-9-6-10-17-23)24-18-11-7-12-19-24/h5-7,9-12,16-19,25-26H,1,8,13-15,20-22H2,2-4H3/t25-,26-/m1/s1.
What are the key properties of tert-butyl-[(1R)-1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]but-3-enoxy]-diphenylsilane?
tert-butyl-[(1R)-1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]but-3-enoxy]-diphenylsilane has a molecular weight of 450.70 g/mol, XLogP of 5.58, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(1R)-1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]but-3-enoxy]-diphenylsilane is sourced from PubChem (CID 11597593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).