tert-butyl-[[(2S,5R,6S)-5-methoxy-1,7-dioxaspiro[5.5]undecan-2-yl]methoxy]-diphenylsilane

C27H38O4Si — CID 11134205

IUPACtert-butyl-[[(2S,5R,6S)-5-methoxy-1,7-dioxaspiro[5.5]undecan-2-yl]methoxy]-diphenylsilane
SMILESCO[C@@H]1CC[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O[C@@]12CCCCO2
InChIInChI=1S/C27H38O4Si/c1-26(2,3)32(23-13-7-5-8-14-23,24-15-9-6-10-16-24)30-21-22-17-18-25(28-4)27(31-22)19-11-12-20-29-27/h5-10,13-16,22,25H,11-12,17-21H2,1-4H3/t22-,25+,27-/m0/s1
InChIKeyXYFRRLAPMLOXKY-RWUBSVTLSA-N
MW454.68 g/mol
LogP4.65
Rot. Bonds6

About tert-butyl-[[(2S,5R,6S)-5-methoxy-1,7-dioxaspiro[5.5]undecan-2-yl]methoxy]-diphenylsilane

tert-butyl-[[(2S,5R,6S)-5-methoxy-1,7-dioxaspiro[5.5]undecan-2-yl]methoxy]-diphenylsilane (PubChem CID 11134205) has the molecular formula C27H38O4Si and a molecular weight of 454.68 g/mol. Its IUPAC name is tert-butyl-[[(2S,5R,6S)-5-methoxy-1,7-dioxaspiro[5.5]undecan-2-yl]methoxy]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[[(2S,5R,6S)-5-methoxy-1,7-dioxaspiro[5.5]undecan-2-yl]methoxy]-diphenylsilane
PubChem CID11134205
Molecular FormulaC27H38O4Si
Molecular Weight454.68 g/mol
Exact Mass454.25
IUPAC Nametert-butyl-[[(2S,5R,6S)-5-methoxy-1,7-dioxaspiro[5.5]undecan-2-yl]methoxy]-diphenylsilane
SMILESCO[C@@H]1CC[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O[C@@]12CCCCO2
InChIInChI=1S/C27H38O4Si/c1-26(2,3)32(23-13-7-5-8-14-23,24-15-9-6-10-16-24)30-21-22-17-18-25(28-4)27(31-22)19-11-12-20-29-27/h5-10,13-16,22,25H,11-12,17-21H2,1-4H3/t22-,25+,27-/m0/s1
InChIKeyXYFRRLAPMLOXKY-RWUBSVTLSA-N
XLogP4.65
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.68
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze tert-butyl-[[(2S,5R,6S)-5-methoxy-1,7-dioxaspiro[5.5]undecan-2-yl]methoxy]-diphenylsilane with MolForge

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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,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
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
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
tert-butyl-[(2R,3R,5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-[(E)-5-trimethylsilylpent-2-en-4-ynyl]oxolan-3-yl]oxy-diphenylsilane
CID 10816744
(1S)-1-[(4R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]-3-[(4S,6S)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]prop-2-yn-1-ol
CID 10876321
tert-butyl-[2-[(4S,6S)-6-ethynyl-2,2-dimethyl-1,3-dioxan-4-yl]ethoxy]-diphenylsilane
CID 10949899
(2S,4S)-6-[tert-butyl(diphenyl)silyl]oxy-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]hexane-2,4-diol
CID 11123563

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[(2S,5R,6S)-5-methoxy-1,7-dioxaspiro[5.5]undecan-2-yl]methoxy]-diphenylsilane?
The IUPAC name of tert-butyl-[[(2S,5R,6S)-5-methoxy-1,7-dioxaspiro[5.5]undecan-2-yl]methoxy]-diphenylsilane (CID 11134205) is tert-butyl-[[(2S,5R,6S)-5-methoxy-1,7-dioxaspiro[5.5]undecan-2-yl]methoxy]-diphenylsilane.
What is the SMILES notation for tert-butyl-[[(2S,5R,6S)-5-methoxy-1,7-dioxaspiro[5.5]undecan-2-yl]methoxy]-diphenylsilane?
The canonical SMILES for tert-butyl-[[(2S,5R,6S)-5-methoxy-1,7-dioxaspiro[5.5]undecan-2-yl]methoxy]-diphenylsilane is CO[C@@H]1CC[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O[C@@]12CCCCO2.
What is the InChIKey of tert-butyl-[[(2S,5R,6S)-5-methoxy-1,7-dioxaspiro[5.5]undecan-2-yl]methoxy]-diphenylsilane?
The InChIKey is XYFRRLAPMLOXKY-RWUBSVTLSA-N. The full InChI is InChI=1S/C27H38O4Si/c1-26(2,3)32(23-13-7-5-8-14-23,24-15-9-6-10-16-24)30-21-22-17-18-25(28-4)27(31-22)19-11-12-20-29-27/h5-10,13-16,22,25H,11-12,17-21H2,1-4H3/t22-,25+,27-/m0/s1.
What are the key properties of tert-butyl-[[(2S,5R,6S)-5-methoxy-1,7-dioxaspiro[5.5]undecan-2-yl]methoxy]-diphenylsilane?
tert-butyl-[[(2S,5R,6S)-5-methoxy-1,7-dioxaspiro[5.5]undecan-2-yl]methoxy]-diphenylsilane has a molecular weight of 454.68 g/mol, XLogP of 4.65, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[(2S,5R,6S)-5-methoxy-1,7-dioxaspiro[5.5]undecan-2-yl]methoxy]-diphenylsilane is sourced from PubChem (CID 11134205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).