tert-butyl-[[(2S,5S)-5-[(Z)-2-iodoethenyl]oxolan-2-yl]methoxy]-diphenylsilane

C23H29IO2Si — CID 57408148

IUPACtert-butyl-[[(2S,5S)-5-[(Z)-2-iodoethenyl]oxolan-2-yl]methoxy]-diphenylsilane
SMILESCC(C)(C)[Si](OC[C@@H]1CC[C@@H](/C=C\I)O1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H29IO2Si/c1-23(2,3)27(21-10-6-4-7-11-21,22-12-8-5-9-13-22)25-18-20-15-14-19(26-20)16-17-24/h4-13,16-17,19-20H,14-15,18H2,1-3H3/b17-16-/t19-,20-/m0/s1
InChIKeyXVLNNUDMCMUQDI-YZASKEDZSA-N
MW492.47 g/mol
LogP5.06
Rot. Bonds6

About tert-butyl-[[(2S,5S)-5-[(Z)-2-iodoethenyl]oxolan-2-yl]methoxy]-diphenylsilane

tert-butyl-[[(2S,5S)-5-[(Z)-2-iodoethenyl]oxolan-2-yl]methoxy]-diphenylsilane (PubChem CID 57408148) has the molecular formula C23H29IO2Si and a molecular weight of 492.47 g/mol. Its IUPAC name is tert-butyl-[[(2S,5S)-5-[(Z)-2-iodoethenyl]oxolan-2-yl]methoxy]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[[(2S,5S)-5-[(Z)-2-iodoethenyl]oxolan-2-yl]methoxy]-diphenylsilane
PubChem CID57408148
Molecular FormulaC23H29IO2Si
Molecular Weight492.47 g/mol
Exact Mass492.10
IUPAC Nametert-butyl-[[(2S,5S)-5-[(Z)-2-iodoethenyl]oxolan-2-yl]methoxy]-diphenylsilane
SMILESCC(C)(C)[Si](OC[C@@H]1CC[C@@H](/C=C\I)O1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H29IO2Si/c1-23(2,3)27(21-10-6-4-7-11-21,22-12-8-5-9-13-22)25-18-20-15-14-19(26-20)16-17-24/h4-13,16-17,19-20H,14-15,18H2,1-3H3/b17-16-/t19-,20-/m0/s1
InChIKeyXVLNNUDMCMUQDI-YZASKEDZSA-N
XLogP5.06
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.47
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(2R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-yl]methanol
CID 10981523
(2S,5S)-5-[(2S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-yl]oxolane-2-carbaldehyde
CID 11070201
(2R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolane-2-carboxylic acid
CID 66663469
tert-butyl-[[(2S)-oxolan-2-yl]methoxy]-diphenylsilane
CID 56616386
(3R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-3-amine
CID 142544481
1-[(2R)-2-[(2R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-yl]but-3-yn-2-yl]oxypropan-2-one
CID 11070636
tert-butyl-[[(2R,5R)-5-(diethoxyphosphorylmethoxy)oxolan-2-yl]methoxy]-diphenylsilane
CID 59795858
[(3R,4R,7S)-2-benzoyloxy-7-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-phenylmethoxyoxepan-3-yl] benzoate
CID 58940425
tert-butyl-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexyl]methoxy]-diphenylsilane
CID 102242282
(2R)-2-[(2R,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-2-yl]-2-hydroxy-1-phenylethanone
CID 11799218
[(2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methyloxolan-2-yl]methanol
CID 16736190
(2R,3S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-fluorooxolan-2-ol
CID 90339346

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[(2S,5S)-5-[(Z)-2-iodoethenyl]oxolan-2-yl]methoxy]-diphenylsilane?
The IUPAC name of tert-butyl-[[(2S,5S)-5-[(Z)-2-iodoethenyl]oxolan-2-yl]methoxy]-diphenylsilane (CID 57408148) is tert-butyl-[[(2S,5S)-5-[(Z)-2-iodoethenyl]oxolan-2-yl]methoxy]-diphenylsilane.
What is the SMILES notation for tert-butyl-[[(2S,5S)-5-[(Z)-2-iodoethenyl]oxolan-2-yl]methoxy]-diphenylsilane?
The canonical SMILES for tert-butyl-[[(2S,5S)-5-[(Z)-2-iodoethenyl]oxolan-2-yl]methoxy]-diphenylsilane is CC(C)(C)[Si](OC[C@@H]1CC[C@@H](/C=C\I)O1)(c1ccccc1)c1ccccc1.
What is the InChIKey of tert-butyl-[[(2S,5S)-5-[(Z)-2-iodoethenyl]oxolan-2-yl]methoxy]-diphenylsilane?
The InChIKey is XVLNNUDMCMUQDI-YZASKEDZSA-N. The full InChI is InChI=1S/C23H29IO2Si/c1-23(2,3)27(21-10-6-4-7-11-21,22-12-8-5-9-13-22)25-18-20-15-14-19(26-20)16-17-24/h4-13,16-17,19-20H,14-15,18H2,1-3H3/b17-16-/t19-,20-/m0/s1.
What are the key properties of tert-butyl-[[(2S,5S)-5-[(Z)-2-iodoethenyl]oxolan-2-yl]methoxy]-diphenylsilane?
tert-butyl-[[(2S,5S)-5-[(Z)-2-iodoethenyl]oxolan-2-yl]methoxy]-diphenylsilane has a molecular weight of 492.47 g/mol, XLogP of 5.06, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[(2S,5S)-5-[(Z)-2-iodoethenyl]oxolan-2-yl]methoxy]-diphenylsilane is sourced from PubChem (CID 57408148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).