[(4R,5R,6R)-5-ethenyl-2,2-dimethyl-6-octyl-1,3-dioxan-4-yl]methyl-dimethyl-trimethylsilylsilane

C22H46O2Si2 — CID 11729048

IUPAC[(4R,5R,6R)-5-ethenyl-2,2-dimethyl-6-octyl-1,3-dioxan-4-yl]methyl-dimethyl-trimethylsilylsilane
SMILESC=C[C@H]1[C@H](C[Si](C)(C)[Si](C)(C)C)OC(C)(C)O[C@@H]1CCCCCCCC
InChIInChI=1S/C22H46O2Si2/c1-10-12-13-14-15-16-17-20-19(11-2)21(24-22(3,4)23-20)18-26(8,9)25(5,6)7/h11,19-21H,2,10,12-18H2,1,3-9H3/t19-,20-,21+/m1/s1
InChIKeyPTNZWUKFLAHGQS-NJYVYQBISA-N
MW398.78 g/mol
LogP7.18
Rot. Bonds11

About [(4R,5R,6R)-5-ethenyl-2,2-dimethyl-6-octyl-1,3-dioxan-4-yl]methyl-dimethyl-trimethylsilylsilane

[(4R,5R,6R)-5-ethenyl-2,2-dimethyl-6-octyl-1,3-dioxan-4-yl]methyl-dimethyl-trimethylsilylsilane (PubChem CID 11729048) has the molecular formula C22H46O2Si2 and a molecular weight of 398.78 g/mol. Its IUPAC name is [(4R,5R,6R)-5-ethenyl-2,2-dimethyl-6-octyl-1,3-dioxan-4-yl]methyl-dimethyl-trimethylsilylsilane.

Molecular Properties

Compound Name[(4R,5R,6R)-5-ethenyl-2,2-dimethyl-6-octyl-1,3-dioxan-4-yl]methyl-dimethyl-trimethylsilylsilane
PubChem CID11729048
Molecular FormulaC22H46O2Si2
Molecular Weight398.78 g/mol
Exact Mass398.30
IUPAC Name[(4R,5R,6R)-5-ethenyl-2,2-dimethyl-6-octyl-1,3-dioxan-4-yl]methyl-dimethyl-trimethylsilylsilane
SMILESC=C[C@H]1[C@H](C[Si](C)(C)[Si](C)(C)C)OC(C)(C)O[C@@H]1CCCCCCCC
InChIInChI=1S/C22H46O2Si2/c1-10-12-13-14-15-16-17-20-19(11-2)21(24-22(3,4)23-20)18-26(8,9)25(5,6)7/h11,19-21H,2,10,12-18H2,1,3-9H3/t19-,20-,21+/m1/s1
InChIKeyPTNZWUKFLAHGQS-NJYVYQBISA-N
XLogP7.18
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.78
LogP ≤ 57.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [(4R,5R,6R)-5-ethenyl-2,2-dimethyl-6-octyl-1,3-dioxan-4-yl]methyl-dimethyl-trimethylsilylsilane with MolForge

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Related Compounds

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-[(E,2R,3R)-1-(2,6-dimethoxyoxan-4-yl)-3-methyl-5-trimethylsilylpent-4-en-2-yl]oxy-dimethylsilane
CID 134922656
tert-butyl-[(4S,6S,9R)-4-(methoxymethoxy)-9-methyldodec-11-en-6-yl]oxy-dimethylsilane
CID 135015253
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
trimethyl-[2-[[(2S)-2-[(2R,5S,6R)-5-methyl-6-[(E)-1-trimethylsilylbut-1-en-2-yl]oxan-2-yl]propoxy]methoxy]ethyl]silane
CID 10431966
trimethyl-[2-[[(2S)-2-[(2R,5S,6R)-5-methyl-6-[(Z)-1-trimethylsilylbut-1-en-2-yl]oxan-2-yl]propoxy]methoxy]ethyl]silane
CID 101660330
tert-butyl-[[(4R,5R)-2,2-dimethyl-4-[[(4R)-4-methylcyclohexen-1-yl]methyl]-1,3-dioxan-5-yl]methoxy]-dimethylsilane
CID 9999123
tert-butyl-[[(4R,5S)-2,2-dimethyl-4-[[(4R)-4-methylcyclohexen-1-yl]methyl]-1,3-dioxan-5-yl]methoxy]-dimethylsilane
CID 10090449
trimethyl-[(1Z)-2-[(2R,3S,6R)-3-methyl-6-[(2S)-1-(2-trimethylsilylethoxymethoxy)propan-2-yl]oxan-2-yl]penta-1,4-dienyl]silane
CID 10320291
tert-butyl-[(2R)-2-[(4S,6S)-2,2-dimethyl-6-prop-2-enyl-1,3-dioxan-4-yl]propoxy]-dimethylsilane
CID 10404268
tri(propan-2-yl)-[(1R)-1-[(4R,5S)-2,2,4-trimethyl-1,3-dioxan-5-yl]but-3-enoxy]silane
CID 10498503
[(1S)-1-[(4S,5S)-2,2-dimethyl-4-prop-2-enyl-1,3-dioxan-5-yl]but-3-enoxy]-tri(propan-2-yl)silane
CID 10500135

Frequently Asked Questions

What is the IUPAC name of [(4R,5R,6R)-5-ethenyl-2,2-dimethyl-6-octyl-1,3-dioxan-4-yl]methyl-dimethyl-trimethylsilylsilane?
The IUPAC name of [(4R,5R,6R)-5-ethenyl-2,2-dimethyl-6-octyl-1,3-dioxan-4-yl]methyl-dimethyl-trimethylsilylsilane (CID 11729048) is [(4R,5R,6R)-5-ethenyl-2,2-dimethyl-6-octyl-1,3-dioxan-4-yl]methyl-dimethyl-trimethylsilylsilane.
What is the SMILES notation for [(4R,5R,6R)-5-ethenyl-2,2-dimethyl-6-octyl-1,3-dioxan-4-yl]methyl-dimethyl-trimethylsilylsilane?
The canonical SMILES for [(4R,5R,6R)-5-ethenyl-2,2-dimethyl-6-octyl-1,3-dioxan-4-yl]methyl-dimethyl-trimethylsilylsilane is C=C[C@H]1[C@H](C[Si](C)(C)[Si](C)(C)C)OC(C)(C)O[C@@H]1CCCCCCCC.
What is the InChIKey of [(4R,5R,6R)-5-ethenyl-2,2-dimethyl-6-octyl-1,3-dioxan-4-yl]methyl-dimethyl-trimethylsilylsilane?
The InChIKey is PTNZWUKFLAHGQS-NJYVYQBISA-N. The full InChI is InChI=1S/C22H46O2Si2/c1-10-12-13-14-15-16-17-20-19(11-2)21(24-22(3,4)23-20)18-26(8,9)25(5,6)7/h11,19-21H,2,10,12-18H2,1,3-9H3/t19-,20-,21+/m1/s1.
What are the key properties of [(4R,5R,6R)-5-ethenyl-2,2-dimethyl-6-octyl-1,3-dioxan-4-yl]methyl-dimethyl-trimethylsilylsilane?
[(4R,5R,6R)-5-ethenyl-2,2-dimethyl-6-octyl-1,3-dioxan-4-yl]methyl-dimethyl-trimethylsilylsilane has a molecular weight of 398.78 g/mol, XLogP of 7.18, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R,5R,6R)-5-ethenyl-2,2-dimethyl-6-octyl-1,3-dioxan-4-yl]methyl-dimethyl-trimethylsilylsilane is sourced from PubChem (CID 11729048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).