tert-butyl-dimethyl-[(E,2R,3R,6S)-2,4,6-trimethyl-3-tri(propan-2-yl)silyloxyoct-4-enoxy]silane

C26H56O2Si2 — CID 10813708

IUPACtert-butyl-dimethyl-[(E,2R,3R,6S)-2,4,6-trimethyl-3-tri(propan-2-yl)silyloxyoct-4-enoxy]silane
SMILESCC[C@H](C)/C=C(\C)[C@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@H](C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C26H56O2Si2/c1-16-22(8)17-23(9)25(24(10)18-27-29(14,15)26(11,12)13)28-30(19(2)3,20(4)5)21(6)7/h17,19-22,24-25H,16,18H2,1-15H3/b23-17+/t22-,24+,25-/m0/s1
InChIKeyUWWANGXXNKXIMI-FYNAPYELSA-N
MW456.90 g/mol
LogP9.20
Rot. Bonds12

About tert-butyl-dimethyl-[(E,2R,3R,6S)-2,4,6-trimethyl-3-tri(propan-2-yl)silyloxyoct-4-enoxy]silane

tert-butyl-dimethyl-[(E,2R,3R,6S)-2,4,6-trimethyl-3-tri(propan-2-yl)silyloxyoct-4-enoxy]silane (PubChem CID 10813708) has the molecular formula C26H56O2Si2 and a molecular weight of 456.90 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(E,2R,3R,6S)-2,4,6-trimethyl-3-tri(propan-2-yl)silyloxyoct-4-enoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(E,2R,3R,6S)-2,4,6-trimethyl-3-tri(propan-2-yl)silyloxyoct-4-enoxy]silane
PubChem CID10813708
Molecular FormulaC26H56O2Si2
Molecular Weight456.90 g/mol
Exact Mass456.38
IUPAC Nametert-butyl-dimethyl-[(E,2R,3R,6S)-2,4,6-trimethyl-3-tri(propan-2-yl)silyloxyoct-4-enoxy]silane
SMILESCC[C@H](C)/C=C(\C)[C@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@H](C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C26H56O2Si2/c1-16-22(8)17-23(9)25(24(10)18-27-29(14,15)26(11,12)13)28-30(19(2)3,20(4)5)21(6)7/h17,19-22,24-25H,16,18H2,1-15H3/b23-17+/t22-,24+,25-/m0/s1
InChIKeyUWWANGXXNKXIMI-FYNAPYELSA-N
XLogP9.20
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.90
LogP ≤ 59.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze tert-butyl-dimethyl-[(E,2R,3R,6S)-2,4,6-trimethyl-3-tri(propan-2-yl)silyloxyoct-4-enoxy]silane with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl-[(1S,4R)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]oxy-dimethylsilane
CID 15110385
tert-butyl-[(E,2R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-7-iodo-5-methyloct-6-en-2-yl]oxy-dimethylsilane
CID 24756021
tert-butyl-[(Z,2S,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-7-iodo-2,4,6-trimethylhept-5-enoxy]-dimethylsilane
CID 87797735
Silane, dimethyl(trans-3,7-dimethyl-2,6-octadien-1-yloxy)isohexyloxy-
CID 91698238
(Z,4S,5R,6S)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4,6-trimethylhept-2-en-1-ol
CID 10693252
tert-butyl-[(1R,4S)-4-ethenyl-3-trimethylsilylcyclopent-2-en-1-yl]oxy-dimethylsilane
CID 11358411
tert-butyl-[(3S,4S,5E,8R)-3,6-dimethyl-8-triethylsilyloxyundeca-1,5-dien-4-yl]oxy-dimethylsilane
CID 11430610
(E,2R,5R,6S)-7-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethylhept-3-ene-1,5-diol
CID 14525995
(E,2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhex-4-en-1-ol
CID 15088744
6,10-Dimethylundeca-5,9-dien-4-yloxy(triethyl)silane
CID 73038104
(E,2R,3R)-2,4,6,6-tetramethyl-1-triethylsilyloxyhept-4-en-3-ol
CID 102289950
(E,2R,3S)-3,6-bis[[tert-butyl(dimethyl)silyl]oxy]-2,5-dimethylhex-4-en-1-ol
CID 134841575

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(E,2R,3R,6S)-2,4,6-trimethyl-3-tri(propan-2-yl)silyloxyoct-4-enoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[(E,2R,3R,6S)-2,4,6-trimethyl-3-tri(propan-2-yl)silyloxyoct-4-enoxy]silane (CID 10813708) is tert-butyl-dimethyl-[(E,2R,3R,6S)-2,4,6-trimethyl-3-tri(propan-2-yl)silyloxyoct-4-enoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[(E,2R,3R,6S)-2,4,6-trimethyl-3-tri(propan-2-yl)silyloxyoct-4-enoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[(E,2R,3R,6S)-2,4,6-trimethyl-3-tri(propan-2-yl)silyloxyoct-4-enoxy]silane is CC[C@H](C)/C=C(\C)[C@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@H](C)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-[(E,2R,3R,6S)-2,4,6-trimethyl-3-tri(propan-2-yl)silyloxyoct-4-enoxy]silane?
The InChIKey is UWWANGXXNKXIMI-FYNAPYELSA-N. The full InChI is InChI=1S/C26H56O2Si2/c1-16-22(8)17-23(9)25(24(10)18-27-29(14,15)26(11,12)13)28-30(19(2)3,20(4)5)21(6)7/h17,19-22,24-25H,16,18H2,1-15H3/b23-17+/t22-,24+,25-/m0/s1.
What are the key properties of tert-butyl-dimethyl-[(E,2R,3R,6S)-2,4,6-trimethyl-3-tri(propan-2-yl)silyloxyoct-4-enoxy]silane?
tert-butyl-dimethyl-[(E,2R,3R,6S)-2,4,6-trimethyl-3-tri(propan-2-yl)silyloxyoct-4-enoxy]silane has a molecular weight of 456.90 g/mol, XLogP of 9.20, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(E,2R,3R,6S)-2,4,6-trimethyl-3-tri(propan-2-yl)silyloxyoct-4-enoxy]silane is sourced from PubChem (CID 10813708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).