tert-butyl-[(2S,3R,4R)-3-(methoxymethoxy)-2,4-dimethylhex-5-enoxy]-diphenylsilane

C26H38O3Si — CID 132549370

IUPACtert-butyl-[(2S,3R,4R)-3-(methoxymethoxy)-2,4-dimethylhex-5-enoxy]-diphenylsilane
SMILESC=C[C@@H](C)[C@@H](OCOC)[C@@H](C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C26H38O3Si/c1-8-21(2)25(28-20-27-7)22(3)19-29-30(26(4,5)6,23-15-11-9-12-16-23)24-17-13-10-14-18-24/h8-18,21-22,25H,1,19-20H2,2-7H3/t21-,22+,25-/m1/s1
InChIKeyXCTAZJHDYNDRSY-OTNCWRBYSA-N
MW426.67 g/mol
LogP5.01
Rot. Bonds11

About tert-butyl-[(2S,3R,4R)-3-(methoxymethoxy)-2,4-dimethylhex-5-enoxy]-diphenylsilane

tert-butyl-[(2S,3R,4R)-3-(methoxymethoxy)-2,4-dimethylhex-5-enoxy]-diphenylsilane (PubChem CID 132549370) has the molecular formula C26H38O3Si and a molecular weight of 426.67 g/mol. Its IUPAC name is tert-butyl-[(2S,3R,4R)-3-(methoxymethoxy)-2,4-dimethylhex-5-enoxy]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[(2S,3R,4R)-3-(methoxymethoxy)-2,4-dimethylhex-5-enoxy]-diphenylsilane
PubChem CID132549370
Molecular FormulaC26H38O3Si
Molecular Weight426.67 g/mol
Exact Mass426.26
IUPAC Nametert-butyl-[(2S,3R,4R)-3-(methoxymethoxy)-2,4-dimethylhex-5-enoxy]-diphenylsilane
SMILESC=C[C@@H](C)[C@@H](OCOC)[C@@H](C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C26H38O3Si/c1-8-21(2)25(28-20-27-7)22(3)19-29-30(26(4,5)6,23-15-11-9-12-16-23)24-17-13-10-14-18-24/h8-18,21-22,25H,1,19-20H2,2-7H3/t21-,22+,25-/m1/s1
InChIKeyXCTAZJHDYNDRSY-OTNCWRBYSA-N
XLogP5.01
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.67
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

ethyl (2R,3R,4S)-5-[tert-butyl(diphenyl)silyl]oxy-3-(methoxymethoxy)-2,4-dimethylpentanoate
CID 11134524
(3S,4S,5R,6S,8S,9Z,11S,12S,13S)-6-[tert-butyl(dimethyl)silyl]oxy-8,14-bis[[tert-butyl(diphenyl)silyl]oxy]-12-(methoxymethoxy)-3,5,11,13-tetramethyltetradeca-1,9-dien-4-ol
CID 11170583
(2R,3R,4R,5S,6R)-1-[tert-butyl(diphenyl)silyl]oxy-2,4,6-trimethyloct-7-ene-3,5-diol
CID 10622991
(3R,4R,5S,6R,7R)-6-[tert-butyl(dimethyl)silyl]oxy-8-[tert-butyl(diphenyl)silyl]oxy-3,5,7-trimethyloct-1-en-4-ol
CID 101106261
(2S,3R,4S)-5-[tert-butyl(diphenyl)silyl]oxy-2,4-dimethyl-3-phenylmethoxypentanal
CID 14394625
(3S,4S)-5-[tert-butyl(diphenyl)silyl]oxy-4-(methoxymethoxy)-3-methylpentan-1-ol
CID 11742663
tert-butyl-[(2R,3S)-2-ethenoxy-3-methylpent-4-enoxy]-diphenylsilane
CID 11749339
tert-butyl-[5-[[(2S,3S,4R)-1-[tert-butyl(diphenyl)silyl]oxy-2,4-dimethylhex-5-en-3-yl]oxy-dimethylsilyl]oxyhept-6-enoxy]-diphenylsilane
CID 11457085
(2S,3S)-4-[tert-butyl(diphenyl)silyl]oxy-2,3-bis(methoxymethoxy)butan-1-ol
CID 72793343
(2S,3S,4R)-5-[tert-butyl(diphenyl)silyl]oxy-2-ethenyl-4-methylpentane-1,3-diol
CID 101039116
1-[tert-butyl(diphenyl)silyl]oxy-3-methoxypropan-2-ol
CID 172588590
tert-butyl-[(2R,3S,4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[(3,4-dimethoxyphenyl)methoxy]-2-methylhex-5-enoxy]-diphenylsilane
CID 101039117

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2S,3R,4R)-3-(methoxymethoxy)-2,4-dimethylhex-5-enoxy]-diphenylsilane?
The IUPAC name of tert-butyl-[(2S,3R,4R)-3-(methoxymethoxy)-2,4-dimethylhex-5-enoxy]-diphenylsilane (CID 132549370) is tert-butyl-[(2S,3R,4R)-3-(methoxymethoxy)-2,4-dimethylhex-5-enoxy]-diphenylsilane.
What is the SMILES notation for tert-butyl-[(2S,3R,4R)-3-(methoxymethoxy)-2,4-dimethylhex-5-enoxy]-diphenylsilane?
The canonical SMILES for tert-butyl-[(2S,3R,4R)-3-(methoxymethoxy)-2,4-dimethylhex-5-enoxy]-diphenylsilane is C=C[C@@H](C)[C@@H](OCOC)[C@@H](C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of tert-butyl-[(2S,3R,4R)-3-(methoxymethoxy)-2,4-dimethylhex-5-enoxy]-diphenylsilane?
The InChIKey is XCTAZJHDYNDRSY-OTNCWRBYSA-N. The full InChI is InChI=1S/C26H38O3Si/c1-8-21(2)25(28-20-27-7)22(3)19-29-30(26(4,5)6,23-15-11-9-12-16-23)24-17-13-10-14-18-24/h8-18,21-22,25H,1,19-20H2,2-7H3/t21-,22+,25-/m1/s1.
What are the key properties of tert-butyl-[(2S,3R,4R)-3-(methoxymethoxy)-2,4-dimethylhex-5-enoxy]-diphenylsilane?
tert-butyl-[(2S,3R,4R)-3-(methoxymethoxy)-2,4-dimethylhex-5-enoxy]-diphenylsilane has a molecular weight of 426.67 g/mol, XLogP of 5.01, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2S,3R,4R)-3-(methoxymethoxy)-2,4-dimethylhex-5-enoxy]-diphenylsilane is sourced from PubChem (CID 132549370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).