tert-butyl-dimethyl-[(E,2S)-6-methyl-1-[(1R,5S,6R)-6-methyl-2,9-dioxabicyclo[3.3.1]nonan-1-yl]hept-3-en-2-yl]oxysilane

C22H42O3Si — CID 134850483

IUPACtert-butyl-dimethyl-[(E,2S)-6-methyl-1-[(1R,5S,6R)-6-methyl-2,9-dioxabicyclo[3.3.1]nonan-1-yl]hept-3-en-2-yl]oxysilane
SMILESCC(C)C/C=C/[C@H](C[C@]12CC[C@@H](C)[C@H](CCO1)O2)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H42O3Si/c1-17(2)10-9-11-19(25-26(7,8)21(4,5)6)16-22-14-12-18(3)20(24-22)13-15-23-22/h9,11,17-20H,10,12-16H2,1-8H3/b11-9+/t18-,19-,20+,22-/m1/s1
InChIKeyMAUAWRKERJGGIA-OYVAUKPQSA-N
MW382.66 g/mol
LogP6.30
Rot. Bonds7

About tert-butyl-dimethyl-[(E,2S)-6-methyl-1-[(1R,5S,6R)-6-methyl-2,9-dioxabicyclo[3.3.1]nonan-1-yl]hept-3-en-2-yl]oxysilane

tert-butyl-dimethyl-[(E,2S)-6-methyl-1-[(1R,5S,6R)-6-methyl-2,9-dioxabicyclo[3.3.1]nonan-1-yl]hept-3-en-2-yl]oxysilane (PubChem CID 134850483) has the molecular formula C22H42O3Si and a molecular weight of 382.66 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(E,2S)-6-methyl-1-[(1R,5S,6R)-6-methyl-2,9-dioxabicyclo[3.3.1]nonan-1-yl]hept-3-en-2-yl]oxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(E,2S)-6-methyl-1-[(1R,5S,6R)-6-methyl-2,9-dioxabicyclo[3.3.1]nonan-1-yl]hept-3-en-2-yl]oxysilane
PubChem CID134850483
Molecular FormulaC22H42O3Si
Molecular Weight382.66 g/mol
Exact Mass382.29
IUPAC Nametert-butyl-dimethyl-[(E,2S)-6-methyl-1-[(1R,5S,6R)-6-methyl-2,9-dioxabicyclo[3.3.1]nonan-1-yl]hept-3-en-2-yl]oxysilane
SMILESCC(C)C/C=C/[C@H](C[C@]12CC[C@@H](C)[C@H](CCO1)O2)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H42O3Si/c1-17(2)10-9-11-19(25-26(7,8)21(4,5)6)16-22-14-12-18(3)20(24-22)13-15-23-22/h9,11,17-20H,10,12-16H2,1-8H3/b11-9+/t18-,19-,20+,22-/m1/s1
InChIKeyMAUAWRKERJGGIA-OYVAUKPQSA-N
XLogP6.30
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.66
LogP ≤ 56.30
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-dimethyl-[(E,2S)-6-methyl-1-[(1R,5S,6R)-6-methyl-2,9-dioxabicyclo[3.3.1]nonan-1-yl]hept-3-en-2-yl]oxysilane with MolForge

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Related Compounds

tert-butyl-[[(2R,3S,6S,8R,9S)-8-[(2E,4E,6S,7S)-6-[tert-butyl(dimethyl)silyl]oxy-3,7-dimethylnona-2,4,8-trienyl]-3,9-dimethyl-1,7-dioxaspiro[5.5]undecan-2-yl]methoxy]-dimethylsilane
CID 24749653
(2R,3S,6R,8R,10S)-8-[(2E,4S,5S,6E)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethyl-7-tributylstannylhepta-2,6-dienyl]-3-methyl-2-propan-2-yl-1,7-dioxaspiro[5.5]undecan-10-ol
CID 134834232
(4S,5S)-5-[(3R)-3-[(2S,3S,8S,9R)-3,9-dimethyl-8-[(3S)-3-methylpent-4-enyl]-1,7-dioxaspiro[5.5]undecan-2-yl]butyl]-2,2,4-trimethyl-3-methylideneoxasilolane
CID 134846315
tert-butyl-[2-[(4S,6S)-2,2-dimethyl-6-[[(2R,3S,6S)-3-methyl-6-prop-2-enyloxan-2-yl]methyl]-1,3-dioxan-4-yl]ethoxy]-dimethylsilane
CID 134850568
tert-butyl-[[(2R,3S)-8-[(2E,4E,6S,7S)-6-[tert-butyl(dimethyl)silyl]oxy-3,7-dimethylnona-2,4,8-trienyl]-3,9-dimethyl-1,7-dioxaspiro[5.5]undecan-2-yl]methoxy]-dimethylsilane
CID 134940747
bis[(Z)-but-2-enyl]-[(2R,3S)-3-methyl-1-[(4S,5S,6R)-2,2,5-trimethyl-6-propan-2-yl-1,3-dioxan-4-yl]pent-4-en-2-yl]oxysilane
CID 135070779
(4R,8R,9S,E)-8-((tert-butyldimethylsilyl)oxy)-9-((4S,6R)-6-((Z)-hex-4-en-1-yl)-2,2-dimethyl-1,3-dioxan-4-yl)-6-methyldec-6-en-4-yl acetate
CID 163319753
tert-butyl-dimethyl-[3-[(2R,6S,8S)-3-methyl-8-[(3S)-3-methylpent-4-enyl]-1,7-dioxaspiro[5.5]undecan-2-yl]propoxy]silane
CID 59456495
3-[(2S,3S,4R,6R)-6-methoxy-2-[(3S)-3-(oxan-2-yloxy)oct-1-enyl]-4-trimethylsilyloxyoxan-3-yl]propoxy-trimethylsilane
CID 68120886
3-[(2S,3S,4R,6R)-6-methoxy-2-[3-(oxan-2-yloxy)oct-1-enyl]-4-trimethylsilyloxyoxan-3-yl]propoxy-trimethylsilane
CID 70617206
3-[(2R,3S,4R,6R)-6-methoxy-2-[3-(oxan-2-yloxy)oct-1-enyl]-4-trimethylsilyloxyoxan-3-yl]propoxy-trimethylsilane
CID 70624910
(4S,5S)-5-[(3R)-3-[(2S,3S,6R,8S,9R)-3,9-dimethyl-8-[(3S)-3-methylpent-4-enyl]-1,7-dioxaspiro[5.5]undecan-2-yl]butyl]-2,2,4-trimethyl-3-methylideneoxasilolane
CID 10528060

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(E,2S)-6-methyl-1-[(1R,5S,6R)-6-methyl-2,9-dioxabicyclo[3.3.1]nonan-1-yl]hept-3-en-2-yl]oxysilane?
The IUPAC name of tert-butyl-dimethyl-[(E,2S)-6-methyl-1-[(1R,5S,6R)-6-methyl-2,9-dioxabicyclo[3.3.1]nonan-1-yl]hept-3-en-2-yl]oxysilane (CID 134850483) is tert-butyl-dimethyl-[(E,2S)-6-methyl-1-[(1R,5S,6R)-6-methyl-2,9-dioxabicyclo[3.3.1]nonan-1-yl]hept-3-en-2-yl]oxysilane.
What is the SMILES notation for tert-butyl-dimethyl-[(E,2S)-6-methyl-1-[(1R,5S,6R)-6-methyl-2,9-dioxabicyclo[3.3.1]nonan-1-yl]hept-3-en-2-yl]oxysilane?
The canonical SMILES for tert-butyl-dimethyl-[(E,2S)-6-methyl-1-[(1R,5S,6R)-6-methyl-2,9-dioxabicyclo[3.3.1]nonan-1-yl]hept-3-en-2-yl]oxysilane is CC(C)C/C=C/[C@H](C[C@]12CC[C@@H](C)[C@H](CCO1)O2)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-[(E,2S)-6-methyl-1-[(1R,5S,6R)-6-methyl-2,9-dioxabicyclo[3.3.1]nonan-1-yl]hept-3-en-2-yl]oxysilane?
The InChIKey is MAUAWRKERJGGIA-OYVAUKPQSA-N. The full InChI is InChI=1S/C22H42O3Si/c1-17(2)10-9-11-19(25-26(7,8)21(4,5)6)16-22-14-12-18(3)20(24-22)13-15-23-22/h9,11,17-20H,10,12-16H2,1-8H3/b11-9+/t18-,19-,20+,22-/m1/s1.
What are the key properties of tert-butyl-dimethyl-[(E,2S)-6-methyl-1-[(1R,5S,6R)-6-methyl-2,9-dioxabicyclo[3.3.1]nonan-1-yl]hept-3-en-2-yl]oxysilane?
tert-butyl-dimethyl-[(E,2S)-6-methyl-1-[(1R,5S,6R)-6-methyl-2,9-dioxabicyclo[3.3.1]nonan-1-yl]hept-3-en-2-yl]oxysilane has a molecular weight of 382.66 g/mol, XLogP of 6.30, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(E,2S)-6-methyl-1-[(1R,5S,6R)-6-methyl-2,9-dioxabicyclo[3.3.1]nonan-1-yl]hept-3-en-2-yl]oxysilane is sourced from PubChem (CID 134850483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).