dimethyl-phenyl-[[(2S,5S)-5-(2-phenylmethoxyethyl)oxolan-2-yl]methyl]silane

C22H30O2Si — CID 100983522

IUPACdimethyl-phenyl-[[(2S,5S)-5-(2-phenylmethoxyethyl)oxolan-2-yl]methyl]silane
SMILESC[Si](C)(C[C@@H]1CC[C@@H](CCOCc2ccccc2)O1)c1ccccc1
InChIInChI=1S/C22H30O2Si/c1-25(2,22-11-7-4-8-12-22)18-21-14-13-20(24-21)15-16-23-17-19-9-5-3-6-10-19/h3-12,20-21H,13-18H2,1-2H3/t20-,21-/m0/s1
InChIKeyDNISDDIEKMZJIG-SFTDATJTSA-N
MW354.57 g/mol
LogP4.76
Rot. Bonds8

About dimethyl-phenyl-[[(2S,5S)-5-(2-phenylmethoxyethyl)oxolan-2-yl]methyl]silane

dimethyl-phenyl-[[(2S,5S)-5-(2-phenylmethoxyethyl)oxolan-2-yl]methyl]silane (PubChem CID 100983522) has the molecular formula C22H30O2Si and a molecular weight of 354.57 g/mol. Its IUPAC name is dimethyl-phenyl-[[(2S,5S)-5-(2-phenylmethoxyethyl)oxolan-2-yl]methyl]silane.

Molecular Properties

Compound Namedimethyl-phenyl-[[(2S,5S)-5-(2-phenylmethoxyethyl)oxolan-2-yl]methyl]silane
PubChem CID100983522
Molecular FormulaC22H30O2Si
Molecular Weight354.57 g/mol
Exact Mass354.20
IUPAC Namedimethyl-phenyl-[[(2S,5S)-5-(2-phenylmethoxyethyl)oxolan-2-yl]methyl]silane
SMILESC[Si](C)(C[C@@H]1CC[C@@H](CCOCc2ccccc2)O1)c1ccccc1
InChIInChI=1S/C22H30O2Si/c1-25(2,22-11-7-4-8-12-22)18-21-14-13-20(24-21)15-16-23-17-19-9-5-3-6-10-19/h3-12,20-21H,13-18H2,1-2H3/t20-,21-/m0/s1
InChIKeyDNISDDIEKMZJIG-SFTDATJTSA-N
XLogP4.76
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.57
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

trimethyl-[[(2R,5S)-5-(phenylmethoxymethyl)oxolan-2-yl]methyl]silane
CID 100983477
dimethyl-[[(2S,5S)-5-methyl-5-(phenylmethoxymethyl)oxolan-2-yl]methyl]-phenylsilane
CID 100983505
(2R)-2-(2-phenylmethoxyethyl)oxolane
CID 71119139
tert-butyl-diphenyl-[[(2R,4S)-4-(phenylmethoxymethyl)oxetan-2-yl]methyl]silane
CID 102506117
2-(2-phenylmethoxyethyl)oxolane;propane-2,2-diol
CID 156747530
(2R,4R,6R)-2-(iodomethyl)-4-(methoxymethoxy)-6-(2-phenylmethoxyethyl)oxane
CID 50915847
[(2S,5S)-5-(2-phenylmethoxyethoxymethyl)oxolan-2-yl]methyl acetate
CID 125485988
2-[(1R)-2-methylcyclopropyl]ethoxymethylbenzene
CID 158778090
(2S,5S)-2,5-bis(2-phenylethyl)oxolane
CID 11108749
tert-butyl-[2-[(6R)-4-methylidene-6-(phenylmethoxymethyl)oxan-2-yl]ethoxy]-diphenylsilane
CID 101170902
(4aR,6S,8R,10aS)-6-(2-phenylmethoxyethyl)-2,3,4,4a,6,7,8,9,10,10a-decahydropyrano[3,2-b]oxocin-8-ol
CID 135033476
(2R,5R)-2-(phenylmethoxymethyl)-5-(5-phenylmethoxypent-3-ynyl)oxolane
CID 11810625

Frequently Asked Questions

What is the IUPAC name of dimethyl-phenyl-[[(2S,5S)-5-(2-phenylmethoxyethyl)oxolan-2-yl]methyl]silane?
The IUPAC name of dimethyl-phenyl-[[(2S,5S)-5-(2-phenylmethoxyethyl)oxolan-2-yl]methyl]silane (CID 100983522) is dimethyl-phenyl-[[(2S,5S)-5-(2-phenylmethoxyethyl)oxolan-2-yl]methyl]silane.
What is the SMILES notation for dimethyl-phenyl-[[(2S,5S)-5-(2-phenylmethoxyethyl)oxolan-2-yl]methyl]silane?
The canonical SMILES for dimethyl-phenyl-[[(2S,5S)-5-(2-phenylmethoxyethyl)oxolan-2-yl]methyl]silane is C[Si](C)(C[C@@H]1CC[C@@H](CCOCc2ccccc2)O1)c1ccccc1.
What is the InChIKey of dimethyl-phenyl-[[(2S,5S)-5-(2-phenylmethoxyethyl)oxolan-2-yl]methyl]silane?
The InChIKey is DNISDDIEKMZJIG-SFTDATJTSA-N. The full InChI is InChI=1S/C22H30O2Si/c1-25(2,22-11-7-4-8-12-22)18-21-14-13-20(24-21)15-16-23-17-19-9-5-3-6-10-19/h3-12,20-21H,13-18H2,1-2H3/t20-,21-/m0/s1.
What are the key properties of dimethyl-phenyl-[[(2S,5S)-5-(2-phenylmethoxyethyl)oxolan-2-yl]methyl]silane?
dimethyl-phenyl-[[(2S,5S)-5-(2-phenylmethoxyethyl)oxolan-2-yl]methyl]silane has a molecular weight of 354.57 g/mol, XLogP of 4.76, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-phenyl-[[(2S,5S)-5-(2-phenylmethoxyethyl)oxolan-2-yl]methyl]silane is sourced from PubChem (CID 100983522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).