dimethyl-[[(2S,5S)-5-methyl-5-(phenylmethoxymethyl)oxolan-2-yl]methyl]-phenylsilane

C22H30O2Si — CID 100983505

IUPACdimethyl-[[(2S,5S)-5-methyl-5-(phenylmethoxymethyl)oxolan-2-yl]methyl]-phenylsilane
SMILESC[C@@]1(COCc2ccccc2)CC[C@@H](C[Si](C)(C)c2ccccc2)O1
InChIInChI=1S/C22H30O2Si/c1-22(18-23-16-19-10-6-4-7-11-19)15-14-20(24-22)17-25(2,3)21-12-8-5-9-13-21/h4-13,20H,14-18H2,1-3H3/t20-,22-/m0/s1
InChIKeyQLWKDMMIVOZGSQ-UNMCSNQZSA-N
MW354.57 g/mol
LogP4.76
Rot. Bonds7

About dimethyl-[[(2S,5S)-5-methyl-5-(phenylmethoxymethyl)oxolan-2-yl]methyl]-phenylsilane

dimethyl-[[(2S,5S)-5-methyl-5-(phenylmethoxymethyl)oxolan-2-yl]methyl]-phenylsilane (PubChem CID 100983505) has the molecular formula C22H30O2Si and a molecular weight of 354.57 g/mol. Its IUPAC name is dimethyl-[[(2S,5S)-5-methyl-5-(phenylmethoxymethyl)oxolan-2-yl]methyl]-phenylsilane.

Molecular Properties

Compound Namedimethyl-[[(2S,5S)-5-methyl-5-(phenylmethoxymethyl)oxolan-2-yl]methyl]-phenylsilane
PubChem CID100983505
Molecular FormulaC22H30O2Si
Molecular Weight354.57 g/mol
Exact Mass354.20
IUPAC Namedimethyl-[[(2S,5S)-5-methyl-5-(phenylmethoxymethyl)oxolan-2-yl]methyl]-phenylsilane
SMILESC[C@@]1(COCc2ccccc2)CC[C@@H](C[Si](C)(C)c2ccccc2)O1
InChIInChI=1S/C22H30O2Si/c1-22(18-23-16-19-10-6-4-7-11-19)15-14-20(24-22)17-25(2,3)21-12-8-5-9-13-21/h4-13,20H,14-18H2,1-3H3/t20-,22-/m0/s1
InChIKeyQLWKDMMIVOZGSQ-UNMCSNQZSA-N
XLogP4.76
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
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': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dimethyl-[[(2S,5S)-5-methyl-5-(phenylmethoxymethyl)oxolan-2-yl]methyl]-phenylsilane?
The IUPAC name of dimethyl-[[(2S,5S)-5-methyl-5-(phenylmethoxymethyl)oxolan-2-yl]methyl]-phenylsilane (CID 100983505) is dimethyl-[[(2S,5S)-5-methyl-5-(phenylmethoxymethyl)oxolan-2-yl]methyl]-phenylsilane.
What is the SMILES notation for dimethyl-[[(2S,5S)-5-methyl-5-(phenylmethoxymethyl)oxolan-2-yl]methyl]-phenylsilane?
The canonical SMILES for dimethyl-[[(2S,5S)-5-methyl-5-(phenylmethoxymethyl)oxolan-2-yl]methyl]-phenylsilane is C[C@@]1(COCc2ccccc2)CC[C@@H](C[Si](C)(C)c2ccccc2)O1.
What is the InChIKey of dimethyl-[[(2S,5S)-5-methyl-5-(phenylmethoxymethyl)oxolan-2-yl]methyl]-phenylsilane?
The InChIKey is QLWKDMMIVOZGSQ-UNMCSNQZSA-N. The full InChI is InChI=1S/C22H30O2Si/c1-22(18-23-16-19-10-6-4-7-11-19)15-14-20(24-22)17-25(2,3)21-12-8-5-9-13-21/h4-13,20H,14-18H2,1-3H3/t20-,22-/m0/s1.
What are the key properties of dimethyl-[[(2S,5S)-5-methyl-5-(phenylmethoxymethyl)oxolan-2-yl]methyl]-phenylsilane?
dimethyl-[[(2S,5S)-5-methyl-5-(phenylmethoxymethyl)oxolan-2-yl]methyl]-phenylsilane has a molecular weight of 354.57 g/mol, XLogP of 4.76, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[[(2S,5S)-5-methyl-5-(phenylmethoxymethyl)oxolan-2-yl]methyl]-phenylsilane is sourced from PubChem (CID 100983505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).