[(4S)-4-[(4R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxan-5-yl]oxy-triethylsilane

C19H36O5Si — CID 140518053

IUPAC[(4S)-4-[(4R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxan-5-yl]oxy-triethylsilane
SMILESC=CC1OC(C)(C)O[C@H]1[C@@H]1OC(C)(C)OCC1O[Si](CC)(CC)CC
InChIInChI=1S/C19H36O5Si/c1-9-14-16(23-19(7,8)21-14)17-15(13-20-18(5,6)22-17)24-25(10-2,11-3)12-4/h9,14-17H,1,10-13H2,2-8H3/t14?,15?,16-,17-/m1/s1
InChIKeyWWKSEYANAFEFFC-BHUNQDJPSA-N
MW372.58 g/mol
LogP4.23
Rot. Bonds7

About [(4S)-4-[(4R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxan-5-yl]oxy-triethylsilane

[(4S)-4-[(4R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxan-5-yl]oxy-triethylsilane (PubChem CID 140518053) has the molecular formula C19H36O5Si and a molecular weight of 372.58 g/mol. Its IUPAC name is [(4S)-4-[(4R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxan-5-yl]oxy-triethylsilane.

Molecular Properties

Compound Name[(4S)-4-[(4R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxan-5-yl]oxy-triethylsilane
PubChem CID140518053
Molecular FormulaC19H36O5Si
Molecular Weight372.58 g/mol
Exact Mass372.23
IUPAC Name[(4S)-4-[(4R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxan-5-yl]oxy-triethylsilane
SMILESC=CC1OC(C)(C)O[C@H]1[C@@H]1OC(C)(C)OCC1O[Si](CC)(CC)CC
InChIInChI=1S/C19H36O5Si/c1-9-14-16(23-19(7,8)21-14)17-15(13-20-18(5,6)22-17)24-25(10-2,11-3)12-4/h9,14-17H,1,10-13H2,2-8H3/t14?,15?,16-,17-/m1/s1
InChIKeyWWKSEYANAFEFFC-BHUNQDJPSA-N
XLogP4.23
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.58
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

[(3aR,4R,7R,7aR)-2,2-dimethyl-6-pent-4-enoxy-7-prop-2-enoxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]oxy-tert-butyl-dimethylsilane
CID 134878490
tert-butyl-[4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]pent-4-enoxy]-dimethylsilane
CID 135039842
2-[(4R,5R)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol
CID 138968266
allyl(-2)[allyl(-3)][allyl(-4)][TBDMS(-6)]Glc-O-iPr
CID 146018811
tert-butyl-[(1S)-1-[(2S,5R)-5-[(4S,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]oxolan-2-yl]ethoxy]-dimethylsilane
CID 164671267
1-[2-[[Tert-butyl(dimethyl)silyl]oxymethyl]-1,3-dioxolan-2-yl]-3-(2-methoxyethoxymethoxy)pent-4-en-2-ol
CID 19782545
tert-butyl-[[(5S,6R,7R,8R)-6,7-dimethoxy-2,2-dimethyl-6-prop-1-en-2-yl-1,3,10-trioxaspiro[4.5]decan-8-yl]oxy]-dimethylsilane
CID 22869106
2-[((tert-Butyldimethylsilyl)oxy)methyl]-2-[(2R,3R)-2-hydr oxy-3-[(2-methoxyethoxy)methoxy]pent-4-enyl]-1,3-dioxolane
CID 54157985
tert-butyl-[2-[(4S,5S)-5-[(Z,4R)-1-methoxy-4,5-dimethylhex-2-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethoxy]-dimethylsilane
CID 58750137
tert-butyl-[2-[(4S,5S)-5-[(Z)-1-methoxy-5-methylhex-2-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethoxy]-dimethylsilane
CID 58750406
[(7aR)-2,2-dimethyl-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]methoxy-tri(propan-2-yl)silane
CID 59270211
tert-butyl-dimethyl-[[(2S,4S,5R,6S)-4,5,6-trimethoxy-3-methylideneoxan-2-yl]methoxy]silane
CID 69944761

Frequently Asked Questions

What is the IUPAC name of [(4S)-4-[(4R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxan-5-yl]oxy-triethylsilane?
The IUPAC name of [(4S)-4-[(4R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxan-5-yl]oxy-triethylsilane (CID 140518053) is [(4S)-4-[(4R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxan-5-yl]oxy-triethylsilane.
What is the SMILES notation for [(4S)-4-[(4R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxan-5-yl]oxy-triethylsilane?
The canonical SMILES for [(4S)-4-[(4R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxan-5-yl]oxy-triethylsilane is C=CC1OC(C)(C)O[C@H]1[C@@H]1OC(C)(C)OCC1O[Si](CC)(CC)CC.
What is the InChIKey of [(4S)-4-[(4R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxan-5-yl]oxy-triethylsilane?
The InChIKey is WWKSEYANAFEFFC-BHUNQDJPSA-N. The full InChI is InChI=1S/C19H36O5Si/c1-9-14-16(23-19(7,8)21-14)17-15(13-20-18(5,6)22-17)24-25(10-2,11-3)12-4/h9,14-17H,1,10-13H2,2-8H3/t14?,15?,16-,17-/m1/s1.
What are the key properties of [(4S)-4-[(4R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxan-5-yl]oxy-triethylsilane?
[(4S)-4-[(4R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxan-5-yl]oxy-triethylsilane has a molecular weight of 372.58 g/mol, XLogP of 4.23, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S)-4-[(4R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxan-5-yl]oxy-triethylsilane is sourced from PubChem (CID 140518053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).