tert-butyl-[2-[(2R,3R)-2-methyl-4,6,8-trioxadispiro[4.1.57.25]tetradec-11-en-3-yl]ethoxy]-diphenylsilane

C30H40O4Si — CID 11179397

IUPACtert-butyl-[2-[(2R,3R)-2-methyl-4,6,8-trioxadispiro[4.1.57.25]tetradec-11-en-3-yl]ethoxy]-diphenylsilane
SMILESC[C@@H]1CC2(CCC3(C=CCCO3)O2)O[C@@H]1CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C30H40O4Si/c1-24-23-30(20-19-29(34-30)18-11-12-21-31-29)33-27(24)17-22-32-35(28(2,3)4,25-13-7-5-8-14-25)26-15-9-6-10-16-26/h5-11,13-16,18,24,27H,12,17,19-23H2,1-4H3/t24-,27-,29?,30?/m1/s1
InChIKeyIKZQBXQISYIOFW-IVIAQFCDSA-N
MW492.73 g/mol
LogP5.56
Rot. Bonds6

About tert-butyl-[2-[(2R,3R)-2-methyl-4,6,8-trioxadispiro[4.1.57.25]tetradec-11-en-3-yl]ethoxy]-diphenylsilane

tert-butyl-[2-[(2R,3R)-2-methyl-4,6,8-trioxadispiro[4.1.57.25]tetradec-11-en-3-yl]ethoxy]-diphenylsilane (PubChem CID 11179397) has the molecular formula C30H40O4Si and a molecular weight of 492.73 g/mol. Its IUPAC name is tert-butyl-[2-[(2R,3R)-2-methyl-4,6,8-trioxadispiro[4.1.57.25]tetradec-11-en-3-yl]ethoxy]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[2-[(2R,3R)-2-methyl-4,6,8-trioxadispiro[4.1.57.25]tetradec-11-en-3-yl]ethoxy]-diphenylsilane
PubChem CID11179397
Molecular FormulaC30H40O4Si
Molecular Weight492.73 g/mol
Exact Mass492.27
IUPAC Nametert-butyl-[2-[(2R,3R)-2-methyl-4,6,8-trioxadispiro[4.1.57.25]tetradec-11-en-3-yl]ethoxy]-diphenylsilane
SMILESC[C@@H]1CC2(CCC3(C=CCCO3)O2)O[C@@H]1CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C30H40O4Si/c1-24-23-30(20-19-29(34-30)18-11-12-21-31-29)33-27(24)17-22-32-35(28(2,3)4,25-13-7-5-8-14-25)26-15-9-6-10-16-26/h5-11,13-16,18,24,27H,12,17,19-23H2,1-4H3/t24-,27-,29?,30?/m1/s1
InChIKeyIKZQBXQISYIOFW-IVIAQFCDSA-N
XLogP5.56
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.73
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze tert-butyl-[2-[(2R,3R)-2-methyl-4,6,8-trioxadispiro[4.1.57.25]tetradec-11-en-3-yl]ethoxy]-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

Tert-butyl-diphenyl-[2-(4,6,8-trioxadispiro[4.1.57.25]tetradecan-3-yl)ethoxy]silane
CID 101097657
tert-butyl-[(4S,6S)-6-(1-methoxyprop-2-enoxy)-4-methylnon-8-enoxy]-diphenylsilane
CID 11248642
tert-butyl-[[(1S,2S,3S,4R)-3-methyl-7-oxabicyclo[2.2.1]hept-5-en-2-yl]methoxy]-diphenylsilane
CID 11417603
tert-butyl-[(4S)-5-[(2R)-6-methoxy-3,6-dihydro-2H-pyran-2-yl]-4-methylpentoxy]-diphenylsilane
CID 11476513
[(3aS,4S,6R,6aR)-2,2-dimethyl-4-phenyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxy-tert-butyl-diphenylsilane
CID 14377455
tert-butyl-[[(8R)-9,9-dimethyl-1,4-dioxaspiro[4.5]dec-6-en-8-yl]oxy]-diphenylsilane
CID 57734346
[1-[(3aR,6R,6aS)-4-(butoxymethyl)-5-fluoro-2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]-2-methylpropan-2-yl]-hydroxy-diphenylsilane
CID 173665244
[(3aR,4R,7aR)-6-heptadecyl-2,2-dimethyl-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]methoxy-tert-butyl-diphenylsilane
CID 10995954
(5R,6R)-8-[tert-butyl(diphenyl)silyl]oxy-1-(3,6-dihydro-2H-pyran-6-yl)-5-methyl-6-triethylsilyloxyoctan-3-ol
CID 11250493
(2R,3R)-5-[tert-butyl(diphenyl)silyl]oxy-1-(1,10-dioxaspiro[4.5]dec-6-en-2-yl)-2-methylpentan-3-ol
CID 11329413
tert-butyl-[(3R,4R)-5-(1,10-dioxaspiro[4.5]dec-6-en-2-yl)-4-methyl-3-triethylsilyloxypentoxy]-diphenylsilane
CID 11467596
(Z,4R)-4-[tert-butyl(diphenyl)silyl]oxy-4-[(1R,4S,6R)-6-(methoxymethoxy)-4-(methoxymethyl)cyclohex-2-en-1-yl]but-2-en-1-ol
CID 11511823

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[2-[(2R,3R)-2-methyl-4,6,8-trioxadispiro[4.1.57.25]tetradec-11-en-3-yl]ethoxy]-diphenylsilane?
The IUPAC name of tert-butyl-[2-[(2R,3R)-2-methyl-4,6,8-trioxadispiro[4.1.57.25]tetradec-11-en-3-yl]ethoxy]-diphenylsilane (CID 11179397) is tert-butyl-[2-[(2R,3R)-2-methyl-4,6,8-trioxadispiro[4.1.57.25]tetradec-11-en-3-yl]ethoxy]-diphenylsilane.
What is the SMILES notation for tert-butyl-[2-[(2R,3R)-2-methyl-4,6,8-trioxadispiro[4.1.57.25]tetradec-11-en-3-yl]ethoxy]-diphenylsilane?
The canonical SMILES for tert-butyl-[2-[(2R,3R)-2-methyl-4,6,8-trioxadispiro[4.1.57.25]tetradec-11-en-3-yl]ethoxy]-diphenylsilane is C[C@@H]1CC2(CCC3(C=CCCO3)O2)O[C@@H]1CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of tert-butyl-[2-[(2R,3R)-2-methyl-4,6,8-trioxadispiro[4.1.57.25]tetradec-11-en-3-yl]ethoxy]-diphenylsilane?
The InChIKey is IKZQBXQISYIOFW-IVIAQFCDSA-N. The full InChI is InChI=1S/C30H40O4Si/c1-24-23-30(20-19-29(34-30)18-11-12-21-31-29)33-27(24)17-22-32-35(28(2,3)4,25-13-7-5-8-14-25)26-15-9-6-10-16-26/h5-11,13-16,18,24,27H,12,17,19-23H2,1-4H3/t24-,27-,29?,30?/m1/s1.
What are the key properties of tert-butyl-[2-[(2R,3R)-2-methyl-4,6,8-trioxadispiro[4.1.57.25]tetradec-11-en-3-yl]ethoxy]-diphenylsilane?
tert-butyl-[2-[(2R,3R)-2-methyl-4,6,8-trioxadispiro[4.1.57.25]tetradec-11-en-3-yl]ethoxy]-diphenylsilane has a molecular weight of 492.73 g/mol, XLogP of 5.56, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[2-[(2R,3R)-2-methyl-4,6,8-trioxadispiro[4.1.57.25]tetradec-11-en-3-yl]ethoxy]-diphenylsilane is sourced from PubChem (CID 11179397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).