tert-butyl-[2-[(2S,4S)-4-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-1,5-dioxaspiro[5.5]undecan-2-yl]ethoxy]-diphenylsilane

C33H48O5Si — CID 14164739

IUPACtert-butyl-[2-[(2S,4S)-4-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-1,5-dioxaspiro[5.5]undecan-2-yl]ethoxy]-diphenylsilane
SMILESCC1(C)OC[C@H](C[C@@H]2C[C@H](CCO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)OC3(CCCCC3)O2)O1
InChIInChI=1S/C33H48O5Si/c1-31(2,3)39(29-15-9-6-10-16-29,30-17-11-7-12-18-30)35-22-19-26-23-27(24-28-25-34-32(4,5)36-28)38-33(37-26)20-13-8-14-21-33/h6-7,9-12,15-18,26-28H,8,13-14,19-25H2,1-5H3/t26-,27-,28-/m0/s1
InChIKeyKXFZFKMZRWRBDJ-KCHLEUMXSA-N
MW552.83 g/mol
LogP6.33
Rot. Bonds8

About tert-butyl-[2-[(2S,4S)-4-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-1,5-dioxaspiro[5.5]undecan-2-yl]ethoxy]-diphenylsilane

tert-butyl-[2-[(2S,4S)-4-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-1,5-dioxaspiro[5.5]undecan-2-yl]ethoxy]-diphenylsilane (PubChem CID 14164739) has the molecular formula C33H48O5Si and a molecular weight of 552.83 g/mol. Its IUPAC name is tert-butyl-[2-[(2S,4S)-4-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-1,5-dioxaspiro[5.5]undecan-2-yl]ethoxy]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[2-[(2S,4S)-4-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-1,5-dioxaspiro[5.5]undecan-2-yl]ethoxy]-diphenylsilane
PubChem CID14164739
Molecular FormulaC33H48O5Si
Molecular Weight552.83 g/mol
Exact Mass552.33
IUPAC Nametert-butyl-[2-[(2S,4S)-4-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-1,5-dioxaspiro[5.5]undecan-2-yl]ethoxy]-diphenylsilane
SMILESCC1(C)OC[C@H](C[C@@H]2C[C@H](CCO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)OC3(CCCCC3)O2)O1
InChIInChI=1S/C33H48O5Si/c1-31(2,3)39(29-15-9-6-10-16-29,30-17-11-7-12-18-30)35-22-19-26-23-27(24-28-25-34-32(4,5)36-28)38-33(37-26)20-13-8-14-21-33/h6-7,9-12,15-18,26-28H,8,13-14,19-25H2,1-5H3/t26-,27-,28-/m0/s1
InChIKeyKXFZFKMZRWRBDJ-KCHLEUMXSA-N
XLogP6.33
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.83
LogP ≤ 56.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-[[(2S,3S,6R,11R)-3,11-dimethyl-1,7-dioxaspiro[5.5]undecan-2-yl]methoxy]-diphenylsilane
CID 10321645
tert-butyl-[[(2S,5R,6S)-5-methoxy-1,7-dioxaspiro[5.5]undecan-2-yl]methoxy]-diphenylsilane
CID 11134205
tert-butyl-[(2S,3S,5R)-5-[(2R)-oxiran-2-yl]-2-pentyloxolan-3-yl]oxy-diphenylsilane
CID 11305198
[(1R,3R)-1-[tert-butyl(diphenyl)silyl]oxy-1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]hexan-3-yl] hex-5-enoate
CID 11541653
(1R)-4-[tert-butyl(diphenyl)silyl]oxy-1-[(2R,5S)-5-[(1S)-4-[tert-butyl(diphenyl)silyl]oxy-1-hydroxybutyl]oxolan-2-yl]butan-1-ol
CID 11858511
1-[Tert-butyl(diphenyl)silyl]oxy-5-(1,10-dioxaspiro[4.5]decan-2-yl)pentan-3-ol
CID 21583599
Tert-butyl-diphenyl-[2-(4,6,8-trioxadispiro[4.1.57.25]tetradecan-3-yl)ethoxy]silane
CID 101097657
2-(([Tert-butyl(diphenyl)silyl]oxy)methyl)-6-methoxytetrahydro-2H-pyran-3,4,5-triol
CID 3319542
(2R,3S,5R,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5,6-dimethoxyoxan-3-ol
CID 18646869
(3S,4R,5R)-4-((tert-butyldiphenylsilyl)oxy)-5-(((tert-butyldiphenylsilyl)oxy)methyl)-3-fluoro-2-methoxyoxolane
CID 89975766
[(2R,3R,4R)-3-butoxy-4-fluoro-5-methoxyoxolan-2-yl]methoxy-tert-butyl-diphenylsilane
CID 173614204
tert-butyl-[(4R)-4-[(2S,3S,6R,8S,9R)-3,9-dimethyl-8-[(3S)-3-methylpent-4-enyl]-1,7-dioxaspiro[5.5]undecan-2-yl]pentoxy]-diphenylsilane
CID 10054152

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[2-[(2S,4S)-4-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-1,5-dioxaspiro[5.5]undecan-2-yl]ethoxy]-diphenylsilane?
The IUPAC name of tert-butyl-[2-[(2S,4S)-4-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-1,5-dioxaspiro[5.5]undecan-2-yl]ethoxy]-diphenylsilane (CID 14164739) is tert-butyl-[2-[(2S,4S)-4-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-1,5-dioxaspiro[5.5]undecan-2-yl]ethoxy]-diphenylsilane.
What is the SMILES notation for tert-butyl-[2-[(2S,4S)-4-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-1,5-dioxaspiro[5.5]undecan-2-yl]ethoxy]-diphenylsilane?
The canonical SMILES for tert-butyl-[2-[(2S,4S)-4-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-1,5-dioxaspiro[5.5]undecan-2-yl]ethoxy]-diphenylsilane is CC1(C)OC[C@H](C[C@@H]2C[C@H](CCO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)OC3(CCCCC3)O2)O1.
What is the InChIKey of tert-butyl-[2-[(2S,4S)-4-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-1,5-dioxaspiro[5.5]undecan-2-yl]ethoxy]-diphenylsilane?
The InChIKey is KXFZFKMZRWRBDJ-KCHLEUMXSA-N. The full InChI is InChI=1S/C33H48O5Si/c1-31(2,3)39(29-15-9-6-10-16-29,30-17-11-7-12-18-30)35-22-19-26-23-27(24-28-25-34-32(4,5)36-28)38-33(37-26)20-13-8-14-21-33/h6-7,9-12,15-18,26-28H,8,13-14,19-25H2,1-5H3/t26-,27-,28-/m0/s1.
What are the key properties of tert-butyl-[2-[(2S,4S)-4-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-1,5-dioxaspiro[5.5]undecan-2-yl]ethoxy]-diphenylsilane?
tert-butyl-[2-[(2S,4S)-4-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-1,5-dioxaspiro[5.5]undecan-2-yl]ethoxy]-diphenylsilane has a molecular weight of 552.83 g/mol, XLogP of 6.33, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[2-[(2S,4S)-4-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-1,5-dioxaspiro[5.5]undecan-2-yl]ethoxy]-diphenylsilane is sourced from PubChem (CID 14164739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).