tert-butyl-[[(2S,4S,6S)-6-methoxy-4-phenylmethoxyoxan-2-yl]methoxy]-dimethylsilane

C20H34O4Si — CID 15948073

IUPACtert-butyl-[[(2S,4S,6S)-6-methoxy-4-phenylmethoxyoxan-2-yl]methoxy]-dimethylsilane
SMILESCO[C@@H]1C[C@@H](OCc2ccccc2)C[C@@H](CO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C20H34O4Si/c1-20(2,3)25(5,6)23-15-18-12-17(13-19(21-4)24-18)22-14-16-10-8-7-9-11-16/h7-11,17-19H,12-15H2,1-6H3/t17-,18-,19-/m0/s1
InChIKeyALKQKZFNPOKGES-FHWLQOOXSA-N
MW366.57 g/mol
LogP4.75
Rot. Bonds7

About tert-butyl-[[(2S,4S,6S)-6-methoxy-4-phenylmethoxyoxan-2-yl]methoxy]-dimethylsilane

tert-butyl-[[(2S,4S,6S)-6-methoxy-4-phenylmethoxyoxan-2-yl]methoxy]-dimethylsilane (PubChem CID 15948073) has the molecular formula C20H34O4Si and a molecular weight of 366.57 g/mol. Its IUPAC name is tert-butyl-[[(2S,4S,6S)-6-methoxy-4-phenylmethoxyoxan-2-yl]methoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[(2S,4S,6S)-6-methoxy-4-phenylmethoxyoxan-2-yl]methoxy]-dimethylsilane
PubChem CID15948073
Molecular FormulaC20H34O4Si
Molecular Weight366.57 g/mol
Exact Mass366.22
IUPAC Nametert-butyl-[[(2S,4S,6S)-6-methoxy-4-phenylmethoxyoxan-2-yl]methoxy]-dimethylsilane
SMILESCO[C@@H]1C[C@@H](OCc2ccccc2)C[C@@H](CO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C20H34O4Si/c1-20(2,3)25(5,6)23-15-18-12-17(13-19(21-4)24-18)22-14-16-10-8-7-9-11-16/h7-11,17-19H,12-15H2,1-6H3/t17-,18-,19-/m0/s1
InChIKeyALKQKZFNPOKGES-FHWLQOOXSA-N
XLogP4.75
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.57
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Benzyl b-primeveroside
CID 14730864
Hydrangeifolin I
CID 10549806
Benzyl beta-d-glucopyranoside
CID 188977
Benzyl beta-primeveroside
CID 131248
Phenylmethyl 6-O-beta-D-glucopyranosyl-beta-D-glucopyranoside
CID 6453389
(2S,3S,4R,5R,6S)-2-[(3R,4R,5R,6S)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)-4-phenylmethoxyoxane-3,5-diol
CID 44559130
beta-D-Galactopyranoside, phenylmethyl
CID 11032917
2-(Hydroxymethyl)-6-phenylmethoxyoxane-3,4,5-triol
CID 4984739
Benzyl b-sophoropyranoside
CID 73157713
Benzyl Alpha-D-Mannopyranoside
CID 10956572
Methyl 2,3-anhydro-4,6-O-benzylidenehexopyranoside
CID 97796
2,4-O-Benzylidenehexitol
CID 247001

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[(2S,4S,6S)-6-methoxy-4-phenylmethoxyoxan-2-yl]methoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[[(2S,4S,6S)-6-methoxy-4-phenylmethoxyoxan-2-yl]methoxy]-dimethylsilane (CID 15948073) is tert-butyl-[[(2S,4S,6S)-6-methoxy-4-phenylmethoxyoxan-2-yl]methoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[(2S,4S,6S)-6-methoxy-4-phenylmethoxyoxan-2-yl]methoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[(2S,4S,6S)-6-methoxy-4-phenylmethoxyoxan-2-yl]methoxy]-dimethylsilane is CO[C@@H]1C[C@@H](OCc2ccccc2)C[C@@H](CO[Si](C)(C)C(C)(C)C)O1.
What is the InChIKey of tert-butyl-[[(2S,4S,6S)-6-methoxy-4-phenylmethoxyoxan-2-yl]methoxy]-dimethylsilane?
The InChIKey is ALKQKZFNPOKGES-FHWLQOOXSA-N. The full InChI is InChI=1S/C20H34O4Si/c1-20(2,3)25(5,6)23-15-18-12-17(13-19(21-4)24-18)22-14-16-10-8-7-9-11-16/h7-11,17-19H,12-15H2,1-6H3/t17-,18-,19-/m0/s1.
What are the key properties of tert-butyl-[[(2S,4S,6S)-6-methoxy-4-phenylmethoxyoxan-2-yl]methoxy]-dimethylsilane?
tert-butyl-[[(2S,4S,6S)-6-methoxy-4-phenylmethoxyoxan-2-yl]methoxy]-dimethylsilane has a molecular weight of 366.57 g/mol, XLogP of 4.75, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[(2S,4S,6S)-6-methoxy-4-phenylmethoxyoxan-2-yl]methoxy]-dimethylsilane is sourced from PubChem (CID 15948073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).