tert-butyl-[(E,2S,3S,4S,8R)-3-methoxy-4,6,8-trimethyl-9-triethylsilyloxynon-5-en-2-yl]oxy-dimethylsilane

C25H54O3Si2 — CID 10895785

IUPACtert-butyl-[(E,2S,3S,4S,8R)-3-methoxy-4,6,8-trimethyl-9-triethylsilyloxynon-5-en-2-yl]oxy-dimethylsilane
SMILESCC[Si](CC)(CC)OC[C@H](C)C/C(C)=C/[C@H](C)[C@H](OC)[C@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C25H54O3Si2/c1-14-30(15-2,16-3)27-19-21(5)17-20(4)18-22(6)24(26-11)23(7)28-29(12,13)25(8,9)10/h18,21-24H,14-17,19H2,1-13H3/b20-18+/t21-,22+,23+,24+/m1/s1
InChIKeyCABCKDPWMAHVJG-IBZZZAIASA-N
MW458.88 g/mol
LogP8.04
Rot. Bonds14

About tert-butyl-[(E,2S,3S,4S,8R)-3-methoxy-4,6,8-trimethyl-9-triethylsilyloxynon-5-en-2-yl]oxy-dimethylsilane

tert-butyl-[(E,2S,3S,4S,8R)-3-methoxy-4,6,8-trimethyl-9-triethylsilyloxynon-5-en-2-yl]oxy-dimethylsilane (PubChem CID 10895785) has the molecular formula C25H54O3Si2 and a molecular weight of 458.88 g/mol. Its IUPAC name is tert-butyl-[(E,2S,3S,4S,8R)-3-methoxy-4,6,8-trimethyl-9-triethylsilyloxynon-5-en-2-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(E,2S,3S,4S,8R)-3-methoxy-4,6,8-trimethyl-9-triethylsilyloxynon-5-en-2-yl]oxy-dimethylsilane
PubChem CID10895785
Molecular FormulaC25H54O3Si2
Molecular Weight458.88 g/mol
Exact Mass458.36
IUPAC Nametert-butyl-[(E,2S,3S,4S,8R)-3-methoxy-4,6,8-trimethyl-9-triethylsilyloxynon-5-en-2-yl]oxy-dimethylsilane
SMILESCC[Si](CC)(CC)OC[C@H](C)C/C(C)=C/[C@H](C)[C@H](OC)[C@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C25H54O3Si2/c1-14-30(15-2,16-3)27-19-21(5)17-20(4)18-22(6)24(26-11)23(7)28-29(12,13)25(8,9)10/h18,21-24H,14-17,19H2,1-13H3/b20-18+/t21-,22+,23+,24+/m1/s1
InChIKeyCABCKDPWMAHVJG-IBZZZAIASA-N
XLogP8.04
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.88
LogP ≤ 58.04
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'}

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Related Compounds

tert-butyl-[(Z,2S,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-7-iodo-2,4,6-trimethylhept-5-enoxy]-dimethylsilane
CID 87797735
tert-butyl-[(E,2R,3R,4S,8S)-3-methoxy-4,6,8-trimethyldec-5-en-9-yn-2-yl]oxy-dimethylsilane
CID 56590590
triethyl-[(2E)-1-(3-methyl-2-methylidenebutyl)-3-triethylsilylhexa-2,5-dienoxy]silane
CID 135020840
[3-[(3Z,6Z)-1,9-bis[[tert-butyl(dimethyl)silyl]oxy]nona-3,6-dienyl]oxiran-2-yl]-trimethylsilane
CID 138968658
tert-butyl-dimethyl-[(1S,3Z)-1-[(2S,3S)-3-trimethylsilyloxiran-2-yl]hepta-3,6-dienoxy]silane
CID 138968662
[(2S,3S)-3-[(1S,3Z,6Z)-1,9-bis[[tert-butyl(dimethyl)silyl]oxy]nona-3,6-dienyl]oxiran-2-yl]-trimethylsilane
CID 138968876
(5R,6S)-9,9-Diethyl-5-[(2S)-4-iodopent-3-en-2-yl]-2,2,3,3,6-pentamethyl-4,8-dioxa-3,9-disilaundecane
CID 57354457
tert-butyl-[(3R,4S,5R,6Z)-8-[(2E)-hepta-2,6-dienoxy]-3-methoxy-5,7-dimethylocta-1,6-dien-4-yl]oxy-dimethylsilane
CID 57586744
tert-butyl-[[(3Z,5R,6S,7S,8E,12E)-7-methoxy-3,5-dimethyl-1-oxacyclotetradeca-3,8,12-trien-6-yl]oxy]-dimethylsilane
CID 57586778
tert-butyl-[(3S,4S,5E,7Z)-3-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylnona-5,7-dienoxy]-dimethylsilane
CID 57788251
tert-butyl-[(E,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-6-iodo-4-methylhept-5-enoxy]-dimethylsilane
CID 58139633
tert-butyl-[(3S,4S,5R,6Z)-8-[(2E)-hepta-2,6-dienoxy]-3-methoxy-5,7-dimethylocta-1,6-dien-4-yl]oxy-dimethylsilane
CID 88399267

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(E,2S,3S,4S,8R)-3-methoxy-4,6,8-trimethyl-9-triethylsilyloxynon-5-en-2-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(E,2S,3S,4S,8R)-3-methoxy-4,6,8-trimethyl-9-triethylsilyloxynon-5-en-2-yl]oxy-dimethylsilane (CID 10895785) is tert-butyl-[(E,2S,3S,4S,8R)-3-methoxy-4,6,8-trimethyl-9-triethylsilyloxynon-5-en-2-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(E,2S,3S,4S,8R)-3-methoxy-4,6,8-trimethyl-9-triethylsilyloxynon-5-en-2-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(E,2S,3S,4S,8R)-3-methoxy-4,6,8-trimethyl-9-triethylsilyloxynon-5-en-2-yl]oxy-dimethylsilane is CC[Si](CC)(CC)OC[C@H](C)C/C(C)=C/[C@H](C)[C@H](OC)[C@H](C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(E,2S,3S,4S,8R)-3-methoxy-4,6,8-trimethyl-9-triethylsilyloxynon-5-en-2-yl]oxy-dimethylsilane?
The InChIKey is CABCKDPWMAHVJG-IBZZZAIASA-N. The full InChI is InChI=1S/C25H54O3Si2/c1-14-30(15-2,16-3)27-19-21(5)17-20(4)18-22(6)24(26-11)23(7)28-29(12,13)25(8,9)10/h18,21-24H,14-17,19H2,1-13H3/b20-18+/t21-,22+,23+,24+/m1/s1.
What are the key properties of tert-butyl-[(E,2S,3S,4S,8R)-3-methoxy-4,6,8-trimethyl-9-triethylsilyloxynon-5-en-2-yl]oxy-dimethylsilane?
tert-butyl-[(E,2S,3S,4S,8R)-3-methoxy-4,6,8-trimethyl-9-triethylsilyloxynon-5-en-2-yl]oxy-dimethylsilane has a molecular weight of 458.88 g/mol, XLogP of 8.04, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(E,2S,3S,4S,8R)-3-methoxy-4,6,8-trimethyl-9-triethylsilyloxynon-5-en-2-yl]oxy-dimethylsilane is sourced from PubChem (CID 10895785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).