[(4aR,6S,7R,8aS)-2,2-ditert-butyl-6-prop-2-ynyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3,2]dioxasilin-7-yl]oxy-tert-butyl-dimethylsilane

C23H44O4Si2 — CID 11453496

IUPAC[(4aR,6S,7R,8aS)-2,2-ditert-butyl-6-prop-2-ynyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3,2]dioxasilin-7-yl]oxy-tert-butyl-dimethylsilane
SMILESC#CC[C@@H]1O[C@@H]2CO[Si](C(C)(C)C)(C(C)(C)C)O[C@H]2C[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C23H44O4Si2/c1-13-14-17-18(26-28(11,12)21(2,3)4)15-19-20(25-17)16-24-29(27-19,22(5,6)7)23(8,9)10/h1,17-20H,14-16H2,2-12H3/t17-,18+,19-,20+/m0/s1
InChIKeyLZKNVBIOXRHMTC-ZGXWSNOMSA-N
MW440.77 g/mol
LogP6.02
Rot. Bonds3

About [(4aR,6S,7R,8aS)-2,2-ditert-butyl-6-prop-2-ynyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3,2]dioxasilin-7-yl]oxy-tert-butyl-dimethylsilane

[(4aR,6S,7R,8aS)-2,2-ditert-butyl-6-prop-2-ynyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3,2]dioxasilin-7-yl]oxy-tert-butyl-dimethylsilane (PubChem CID 11453496) has the molecular formula C23H44O4Si2 and a molecular weight of 440.77 g/mol. Its IUPAC name is [(4aR,6S,7R,8aS)-2,2-ditert-butyl-6-prop-2-ynyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3,2]dioxasilin-7-yl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(4aR,6S,7R,8aS)-2,2-ditert-butyl-6-prop-2-ynyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3,2]dioxasilin-7-yl]oxy-tert-butyl-dimethylsilane
PubChem CID11453496
Molecular FormulaC23H44O4Si2
Molecular Weight440.77 g/mol
Exact Mass440.28
IUPAC Name[(4aR,6S,7R,8aS)-2,2-ditert-butyl-6-prop-2-ynyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3,2]dioxasilin-7-yl]oxy-tert-butyl-dimethylsilane
SMILESC#CC[C@@H]1O[C@@H]2CO[Si](C(C)(C)C)(C(C)(C)C)O[C@H]2C[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C23H44O4Si2/c1-13-14-17-18(26-28(11,12)21(2,3)4)15-19-20(25-17)16-24-29(27-19,22(5,6)7)23(8,9)10/h1,17-20H,14-16H2,2-12H3/t17-,18+,19-,20+/m0/s1
InChIKeyLZKNVBIOXRHMTC-ZGXWSNOMSA-N
XLogP6.02
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.77
LogP ≤ 56.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [(4aR,6S,7R,8aS)-2,2-ditert-butyl-6-prop-2-ynyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3,2]dioxasilin-7-yl]oxy-tert-butyl-dimethylsilane with MolForge

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Related Compounds

2-[(2S,3R,4aR,6S,7R,8aR)-3,7-bis[[tert-butyl(dimethyl)silyl]oxy]-6-ethyl-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-2-yl]acetaldehyde
CID 15605711
[(4aR,6R,7R,7aR)-6-azido-2,2-ditert-butyl-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxasilin-7-yl]oxy-tert-butyl-dimethylsilane
CID 122403252
(3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-(3-trimethylsilylprop-2-ynyl)oxolan-2-one
CID 11267379
(1R,3S,6R,7S,9R,12S,14R,19S)-17,17-ditert-butyl-6-phenylmethoxy-7-(2-phenylmethoxyethyl)-2,8,13,16,18-pentaoxa-17-silatetracyclo[10.8.0.03,9.014,19]icosane
CID 122207089
[(2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methyloxolan-2-yl]methanol
CID 157382576
[(2R,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-pentyloxolan-2-yl]methanol
CID 10709517
CID 66680973
CID 66680973
[(3aR,7R,7aR)-2,2-ditert-butyl-7,7a-dihydro-3aH-[1,3,2]dioxasilolo[4,5-b]pyran-7-yl]oxy-tert-butyl-dimethylsilane
CID 177461048
tert-butyl-dimethyl-[[(5R)-6-oxabicyclo[3.1.0]hexan-3-yl]oxy]silane
CID 89397580
(1S,2S,4S,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohexane-1,2-diol
CID 101111315
5-[(4aR,6S,7S,7aR)-2,2-ditert-butyl-7-[tert-butyl(dimethyl)silyl]oxy-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxasilin-6-yl]-N,N-dibenzylpyrimidin-2-amine
CID 44518881
(4aR,6S,8aR)-2,2-ditert-butyl-6-methoxy-4,4a,6,8a-tetrahydropyrano[3,2-d][1,3,2]dioxasiline
CID 10881137

Frequently Asked Questions

What is the IUPAC name of [(4aR,6S,7R,8aS)-2,2-ditert-butyl-6-prop-2-ynyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3,2]dioxasilin-7-yl]oxy-tert-butyl-dimethylsilane?
The IUPAC name of [(4aR,6S,7R,8aS)-2,2-ditert-butyl-6-prop-2-ynyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3,2]dioxasilin-7-yl]oxy-tert-butyl-dimethylsilane (CID 11453496) is [(4aR,6S,7R,8aS)-2,2-ditert-butyl-6-prop-2-ynyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3,2]dioxasilin-7-yl]oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(4aR,6S,7R,8aS)-2,2-ditert-butyl-6-prop-2-ynyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3,2]dioxasilin-7-yl]oxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(4aR,6S,7R,8aS)-2,2-ditert-butyl-6-prop-2-ynyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3,2]dioxasilin-7-yl]oxy-tert-butyl-dimethylsilane is C#CC[C@@H]1O[C@@H]2CO[Si](C(C)(C)C)(C(C)(C)C)O[C@H]2C[C@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(4aR,6S,7R,8aS)-2,2-ditert-butyl-6-prop-2-ynyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3,2]dioxasilin-7-yl]oxy-tert-butyl-dimethylsilane?
The InChIKey is LZKNVBIOXRHMTC-ZGXWSNOMSA-N. The full InChI is InChI=1S/C23H44O4Si2/c1-13-14-17-18(26-28(11,12)21(2,3)4)15-19-20(25-17)16-24-29(27-19,22(5,6)7)23(8,9)10/h1,17-20H,14-16H2,2-12H3/t17-,18+,19-,20+/m0/s1.
What are the key properties of [(4aR,6S,7R,8aS)-2,2-ditert-butyl-6-prop-2-ynyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3,2]dioxasilin-7-yl]oxy-tert-butyl-dimethylsilane?
[(4aR,6S,7R,8aS)-2,2-ditert-butyl-6-prop-2-ynyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3,2]dioxasilin-7-yl]oxy-tert-butyl-dimethylsilane has a molecular weight of 440.77 g/mol, XLogP of 6.02, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4aR,6S,7R,8aS)-2,2-ditert-butyl-6-prop-2-ynyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3,2]dioxasilin-7-yl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 11453496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).