tert-butyl-[2-[(1R,3S,5S)-1-(2-methylprop-2-enyl)-2,9-dioxabicyclo[3.3.1]nonan-3-yl]ethoxy]-diphenylsilane

C29H40O3Si — CID 101135541

IUPACtert-butyl-[2-[(1R,3S,5S)-1-(2-methylprop-2-enyl)-2,9-dioxabicyclo[3.3.1]nonan-3-yl]ethoxy]-diphenylsilane
SMILESC=C(C)C[C@@]12CCC[C@@H](C[C@H](CCO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)O1)O2
InChIInChI=1S/C29H40O3Si/c1-23(2)22-29-19-12-13-24(31-29)21-25(32-29)18-20-30-33(28(3,4)5,26-14-8-6-9-15-26)27-16-10-7-11-17-27/h6-11,14-17,24-25H,1,12-13,18-22H2,2-5H3/t24-,25-,29+/m0/s1
InChIKeyPNNGSKPUEFGDMZ-IALVYGIMSA-N
MW464.72 g/mol
LogP5.97
Rot. Bonds8

About tert-butyl-[2-[(1R,3S,5S)-1-(2-methylprop-2-enyl)-2,9-dioxabicyclo[3.3.1]nonan-3-yl]ethoxy]-diphenylsilane

tert-butyl-[2-[(1R,3S,5S)-1-(2-methylprop-2-enyl)-2,9-dioxabicyclo[3.3.1]nonan-3-yl]ethoxy]-diphenylsilane (PubChem CID 101135541) has the molecular formula C29H40O3Si and a molecular weight of 464.72 g/mol. Its IUPAC name is tert-butyl-[2-[(1R,3S,5S)-1-(2-methylprop-2-enyl)-2,9-dioxabicyclo[3.3.1]nonan-3-yl]ethoxy]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[2-[(1R,3S,5S)-1-(2-methylprop-2-enyl)-2,9-dioxabicyclo[3.3.1]nonan-3-yl]ethoxy]-diphenylsilane
PubChem CID101135541
Molecular FormulaC29H40O3Si
Molecular Weight464.72 g/mol
Exact Mass464.27
IUPAC Nametert-butyl-[2-[(1R,3S,5S)-1-(2-methylprop-2-enyl)-2,9-dioxabicyclo[3.3.1]nonan-3-yl]ethoxy]-diphenylsilane
SMILESC=C(C)C[C@@]12CCC[C@@H](C[C@H](CCO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)O1)O2
InChIInChI=1S/C29H40O3Si/c1-23(2)22-29-19-12-13-24(31-29)21-25(32-29)18-20-30-33(28(3,4)5,26-14-8-6-9-15-26)27-16-10-7-11-17-27/h6-11,14-17,24-25H,1,12-13,18-22H2,2-5H3/t24-,25-,29+/m0/s1
InChIKeyPNNGSKPUEFGDMZ-IALVYGIMSA-N
XLogP5.97
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.72
LogP ≤ 55.97
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'}

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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
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
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-[2-[(4S,6S)-6-ethynyl-2,2-dimethyl-1,3-dioxan-4-yl]ethoxy]-diphenylsilane
CID 10949899
(2R,4S,6R,8R,9S)-2-[(E,5R)-6-[tert-butyl(diphenyl)silyl]oxy-3,5-dimethylhex-2-enyl]-8,9-dimethyl-1,7-dioxaspiro[5.5]undecan-4-ol
CID 13945645
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
[(2R)-2-[(4R,5S,6S)-6-[(2S)-but-3-en-2-yl]-2,2,5-trimethyl-1,3-dioxan-4-yl]propoxy]-tert-butyl-diphenylsilane
CID 14683914
[6-(6-Allyl-4-methoxymethoxy-tetrahydro-pyran-2-yl)-3-methoxy-5-methyl-1-propyl-hexyloxy]-tert-butyl-diphenyl-silane
CID 46844933
(2-((2S,4R,6S)-6-Allyl-4-((tert-butyldimethylsilyl)oxy)tetrahydro-2H-pyran-2-yl)ethoxy)(tert-butyl)diphenylsilane
CID 71489703
Tert-butyl-[10-(oxan-2-yloxy)dec-3-enoxy]-diphenylsilane
CID 91332140

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[2-[(1R,3S,5S)-1-(2-methylprop-2-enyl)-2,9-dioxabicyclo[3.3.1]nonan-3-yl]ethoxy]-diphenylsilane?
The IUPAC name of tert-butyl-[2-[(1R,3S,5S)-1-(2-methylprop-2-enyl)-2,9-dioxabicyclo[3.3.1]nonan-3-yl]ethoxy]-diphenylsilane (CID 101135541) is tert-butyl-[2-[(1R,3S,5S)-1-(2-methylprop-2-enyl)-2,9-dioxabicyclo[3.3.1]nonan-3-yl]ethoxy]-diphenylsilane.
What is the SMILES notation for tert-butyl-[2-[(1R,3S,5S)-1-(2-methylprop-2-enyl)-2,9-dioxabicyclo[3.3.1]nonan-3-yl]ethoxy]-diphenylsilane?
The canonical SMILES for tert-butyl-[2-[(1R,3S,5S)-1-(2-methylprop-2-enyl)-2,9-dioxabicyclo[3.3.1]nonan-3-yl]ethoxy]-diphenylsilane is C=C(C)C[C@@]12CCC[C@@H](C[C@H](CCO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)O1)O2.
What is the InChIKey of tert-butyl-[2-[(1R,3S,5S)-1-(2-methylprop-2-enyl)-2,9-dioxabicyclo[3.3.1]nonan-3-yl]ethoxy]-diphenylsilane?
The InChIKey is PNNGSKPUEFGDMZ-IALVYGIMSA-N. The full InChI is InChI=1S/C29H40O3Si/c1-23(2)22-29-19-12-13-24(31-29)21-25(32-29)18-20-30-33(28(3,4)5,26-14-8-6-9-15-26)27-16-10-7-11-17-27/h6-11,14-17,24-25H,1,12-13,18-22H2,2-5H3/t24-,25-,29+/m0/s1.
What are the key properties of tert-butyl-[2-[(1R,3S,5S)-1-(2-methylprop-2-enyl)-2,9-dioxabicyclo[3.3.1]nonan-3-yl]ethoxy]-diphenylsilane?
tert-butyl-[2-[(1R,3S,5S)-1-(2-methylprop-2-enyl)-2,9-dioxabicyclo[3.3.1]nonan-3-yl]ethoxy]-diphenylsilane has a molecular weight of 464.72 g/mol, XLogP of 5.97, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[2-[(1R,3S,5S)-1-(2-methylprop-2-enyl)-2,9-dioxabicyclo[3.3.1]nonan-3-yl]ethoxy]-diphenylsilane is sourced from PubChem (CID 101135541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).