tert-butyl-[(E,2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylhept-4-enoxy]-dimethylsilane

C20H44O2Si2 — CID 134881303

IUPACtert-butyl-[(E,2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylhept-4-enoxy]-dimethylsilane
SMILESCC/C=C/[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H44O2Si2/c1-13-14-15-18(22-24(11,12)20(6,7)8)17(2)16-21-23(9,10)19(3,4)5/h14-15,17-18H,13,16H2,1-12H3/b15-14+/t17-,18-/m0/s1
InChIKeyHPVCBTPZGXBOAL-DNWQSSKHSA-N
MW372.74 g/mol
LogP7.00
Rot. Bonds8

About tert-butyl-[(E,2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylhept-4-enoxy]-dimethylsilane

tert-butyl-[(E,2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylhept-4-enoxy]-dimethylsilane (PubChem CID 134881303) has the molecular formula C20H44O2Si2 and a molecular weight of 372.74 g/mol. Its IUPAC name is tert-butyl-[(E,2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylhept-4-enoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(E,2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylhept-4-enoxy]-dimethylsilane
PubChem CID134881303
Molecular FormulaC20H44O2Si2
Molecular Weight372.74 g/mol
Exact Mass372.29
IUPAC Nametert-butyl-[(E,2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylhept-4-enoxy]-dimethylsilane
SMILESCC/C=C/[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H44O2Si2/c1-13-14-15-18(22-24(11,12)20(6,7)8)17(2)16-21-23(9,10)19(3,4)5/h14-15,17-18H,13,16H2,1-12H3/b15-14+/t17-,18-/m0/s1
InChIKeyHPVCBTPZGXBOAL-DNWQSSKHSA-N
XLogP7.00
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.74
LogP ≤ 57.00
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'}

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Related Compounds

tert-butyl-[(1S,4R)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]oxy-dimethylsilane
CID 15110385
tert-butyl-[(3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-enoxy]-dimethylsilane
CID 135034833
tert-butyl-[(2E,6E)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylocta-2,6-dienoxy]-dimethylsilane
CID 5387042
2-Triisobutylsilyloxyoct-3-ene
CID 5353180
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
triethyl-[(2E)-1-prop-2-enyl-3-triethylsilylhexa-2,5-dienoxy]silane
CID 101567387
(E,2R,3S)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylnon-4-en-3-ol
CID 102289951
tert-butyl-[(4E,8E)-12-[tert-butyl(dimethyl)silyl]oxydodeca-4,8-dienoxy]-dimethylsilane
CID 134830594
tert-butyl-[(3R)-3-[tert-butyl(dimethyl)silyl]oxypent-4-enoxy]-dimethylsilane
CID 134839850
(E,2R,3S)-3,6-bis[[tert-butyl(dimethyl)silyl]oxy]-2,5-dimethylhex-4-en-1-ol
CID 134841575
[(5S,7E)-5,9-bis[[tert-butyl(dimethyl)silyl]oxy]nona-3,7-dien-1-ynyl]-trimethylsilane
CID 134865464

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(E,2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylhept-4-enoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(E,2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylhept-4-enoxy]-dimethylsilane (CID 134881303) is tert-butyl-[(E,2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylhept-4-enoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(E,2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylhept-4-enoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(E,2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylhept-4-enoxy]-dimethylsilane is CC/C=C/[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(E,2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylhept-4-enoxy]-dimethylsilane?
The InChIKey is HPVCBTPZGXBOAL-DNWQSSKHSA-N. The full InChI is InChI=1S/C20H44O2Si2/c1-13-14-15-18(22-24(11,12)20(6,7)8)17(2)16-21-23(9,10)19(3,4)5/h14-15,17-18H,13,16H2,1-12H3/b15-14+/t17-,18-/m0/s1.
What are the key properties of tert-butyl-[(E,2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylhept-4-enoxy]-dimethylsilane?
tert-butyl-[(E,2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylhept-4-enoxy]-dimethylsilane has a molecular weight of 372.74 g/mol, XLogP of 7.00, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(E,2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylhept-4-enoxy]-dimethylsilane is sourced from PubChem (CID 134881303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).