[(4aR,6S,7S,8aR)-6-[(2R)-but-3-en-2-yl]-2,2-ditert-butyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3,2]dioxasilin-7-yl]oxy-triethylsilane

C24H48O4Si2 — CID 147530787

IUPAC[(4aR,6S,7S,8aR)-6-[(2R)-but-3-en-2-yl]-2,2-ditert-butyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3,2]dioxasilin-7-yl]oxy-triethylsilane
SMILESC=C[C@@H](C)[C@@H]1O[C@@H]2CO[Si](C(C)(C)C)(C(C)(C)C)O[C@@H]2C[C@@H]1O[Si](CC)(CC)CC
InChIInChI=1S/C24H48O4Si2/c1-12-18(5)22-20(27-29(13-2,14-3)15-4)16-19-21(26-22)17-25-30(28-19,23(6,7)8)24(9,10)11/h12,18-22H,1,13-17H2,2-11H3/t18-,19-,20+,21-,22+/m1/s1
InChIKeyFMZMKBWQRWXDMK-BDHVOXNPSA-N
MW456.82 g/mol
LogP6.81
Rot. Bonds7

About [(4aR,6S,7S,8aR)-6-[(2R)-but-3-en-2-yl]-2,2-ditert-butyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3,2]dioxasilin-7-yl]oxy-triethylsilane

[(4aR,6S,7S,8aR)-6-[(2R)-but-3-en-2-yl]-2,2-ditert-butyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3,2]dioxasilin-7-yl]oxy-triethylsilane (PubChem CID 147530787) has the molecular formula C24H48O4Si2 and a molecular weight of 456.82 g/mol. Its IUPAC name is [(4aR,6S,7S,8aR)-6-[(2R)-but-3-en-2-yl]-2,2-ditert-butyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3,2]dioxasilin-7-yl]oxy-triethylsilane.

Molecular Properties

Compound Name[(4aR,6S,7S,8aR)-6-[(2R)-but-3-en-2-yl]-2,2-ditert-butyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3,2]dioxasilin-7-yl]oxy-triethylsilane
PubChem CID147530787
Molecular FormulaC24H48O4Si2
Molecular Weight456.82 g/mol
Exact Mass456.31
IUPAC Name[(4aR,6S,7S,8aR)-6-[(2R)-but-3-en-2-yl]-2,2-ditert-butyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3,2]dioxasilin-7-yl]oxy-triethylsilane
SMILESC=C[C@@H](C)[C@@H]1O[C@@H]2CO[Si](C(C)(C)C)(C(C)(C)C)O[C@@H]2C[C@@H]1O[Si](CC)(CC)CC
InChIInChI=1S/C24H48O4Si2/c1-12-18(5)22-20(27-29(13-2,14-3)15-4)16-19-21(26-22)17-25-30(28-19,23(6,7)8)24(9,10)11/h12,18-22H,1,13-17H2,2-11H3/t18-,19-,20+,21-,22+/m1/s1
InChIKeyFMZMKBWQRWXDMK-BDHVOXNPSA-N
XLogP6.81
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.82
LogP ≤ 56.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [(4aR,6S,7S,8aR)-6-[(2R)-but-3-en-2-yl]-2,2-ditert-butyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3,2]dioxasilin-7-yl]oxy-triethylsilane with MolForge

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Related Compounds

[(E,1S)-1-[(2S,3R,4S,4aS,6S,8aS)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-ethyl-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-2-yl]-3-iodoprop-2-enoxy]-tert-butyl-dimethylsilane
CID 58077688
[(E,3S)-3-[(2S,3R,4S,4aS,6S,8aS)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-ethyl-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-2-yl]-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-trimethylsilane
CID 58077755
[(E,1S)-1-[(2R,3S,4R,4aR,6S,8aS)-6-ethyl-3,4-dimethyl-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-2-yl]-3-iodoprop-2-enoxy]-tert-butyl-dimethylsilane
CID 58351180
tert-butyl-[(E)-3-iodo-1-[6-(methoxymethyl)-3,4-dimethyl-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-2-yl]prop-2-enoxy]-dimethylsilane
CID 58351201
tert-butyl-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-[(2R,3R,4S,5S)-3-methoxy-4-methyl-5-prop-2-enyloxolan-2-yl]propan-2-yl]oxy-dimethylsilane
CID 89329092
[(E,1S)-1-[(2S,3R,4S,4aS,8aS)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-ethyl-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-2-yl]-3-iodoprop-2-enoxy]-tert-butyl-dimethylsilane
CID 89798526
[(2R,3R,4R,5R,6R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-prop-2-enyloxan-4-yl]oxy-tert-butyl-dimethylsilane
CID 90238971
[(2R,3S,4R,5S,6R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-prop-2-enyloxan-4-yl]oxy-tert-butyl-dimethylsilane
CID 90238973
[(2R,4S,5R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-prop-2-enyloxan-3-yl]oxy-tert-butyl-dimethylsilane
CID 91546532
[(2S,4S,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-prop-2-enyloxan-3-yl]oxy-tert-butyl-dimethylsilane
CID 91868134
[(1S)-1-[(2S,3R,4S,4aS,6S,8aS)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-ethyl-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-2-yl]-3-iodoprop-2-enoxy]-tert-butyl-dimethylsilane
CID 123232991
[(3S)-3-[(2S,3R,4S,4aS,6S,8aS)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-ethyl-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-2-yl]-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-trimethylsilane
CID 123290198

Frequently Asked Questions

What is the IUPAC name of [(4aR,6S,7S,8aR)-6-[(2R)-but-3-en-2-yl]-2,2-ditert-butyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3,2]dioxasilin-7-yl]oxy-triethylsilane?
The IUPAC name of [(4aR,6S,7S,8aR)-6-[(2R)-but-3-en-2-yl]-2,2-ditert-butyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3,2]dioxasilin-7-yl]oxy-triethylsilane (CID 147530787) is [(4aR,6S,7S,8aR)-6-[(2R)-but-3-en-2-yl]-2,2-ditert-butyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3,2]dioxasilin-7-yl]oxy-triethylsilane.
What is the SMILES notation for [(4aR,6S,7S,8aR)-6-[(2R)-but-3-en-2-yl]-2,2-ditert-butyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3,2]dioxasilin-7-yl]oxy-triethylsilane?
The canonical SMILES for [(4aR,6S,7S,8aR)-6-[(2R)-but-3-en-2-yl]-2,2-ditert-butyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3,2]dioxasilin-7-yl]oxy-triethylsilane is C=C[C@@H](C)[C@@H]1O[C@@H]2CO[Si](C(C)(C)C)(C(C)(C)C)O[C@@H]2C[C@@H]1O[Si](CC)(CC)CC.
What is the InChIKey of [(4aR,6S,7S,8aR)-6-[(2R)-but-3-en-2-yl]-2,2-ditert-butyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3,2]dioxasilin-7-yl]oxy-triethylsilane?
The InChIKey is FMZMKBWQRWXDMK-BDHVOXNPSA-N. The full InChI is InChI=1S/C24H48O4Si2/c1-12-18(5)22-20(27-29(13-2,14-3)15-4)16-19-21(26-22)17-25-30(28-19,23(6,7)8)24(9,10)11/h12,18-22H,1,13-17H2,2-11H3/t18-,19-,20+,21-,22+/m1/s1.
What are the key properties of [(4aR,6S,7S,8aR)-6-[(2R)-but-3-en-2-yl]-2,2-ditert-butyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3,2]dioxasilin-7-yl]oxy-triethylsilane?
[(4aR,6S,7S,8aR)-6-[(2R)-but-3-en-2-yl]-2,2-ditert-butyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3,2]dioxasilin-7-yl]oxy-triethylsilane has a molecular weight of 456.82 g/mol, XLogP of 6.81, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4aR,6S,7S,8aR)-6-[(2R)-but-3-en-2-yl]-2,2-ditert-butyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3,2]dioxasilin-7-yl]oxy-triethylsilane is sourced from PubChem (CID 147530787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).