trimethyl-[(1S,2R,5S,6R)-2-phenylmethoxy-6-(phenylmethoxymethyl)-5,6-bis(trimethylsilyloxy)cyclohex-3-en-1-yl]oxysilane

C30H48O5Si3 — CID 100999150

IUPACtrimethyl-[(1S,2R,5S,6R)-2-phenylmethoxy-6-(phenylmethoxymethyl)-5,6-bis(trimethylsilyloxy)cyclohex-3-en-1-yl]oxysilane
SMILESC[Si](C)(C)O[C@H]1C=C[C@@H](OCc2ccccc2)[C@H](O[Si](C)(C)C)[C@]1(COCc1ccccc1)O[Si](C)(C)C
InChIInChI=1S/C30H48O5Si3/c1-36(2,3)33-28-21-20-27(32-23-26-18-14-11-15-19-26)29(34-37(4,5)6)30(28,35-38(7,8)9)24-31-22-25-16-12-10-13-17-25/h10-21,27-29H,22-24H2,1-9H3/t27-,28+,29+,30-/m1/s1
InChIKeyHEIABIUUVWBPNB-IBHPWDLASA-N
MW572.97 g/mol
LogP7.39
Rot. Bonds13

About trimethyl-[(1S,2R,5S,6R)-2-phenylmethoxy-6-(phenylmethoxymethyl)-5,6-bis(trimethylsilyloxy)cyclohex-3-en-1-yl]oxysilane

trimethyl-[(1S,2R,5S,6R)-2-phenylmethoxy-6-(phenylmethoxymethyl)-5,6-bis(trimethylsilyloxy)cyclohex-3-en-1-yl]oxysilane (PubChem CID 100999150) has the molecular formula C30H48O5Si3 and a molecular weight of 572.97 g/mol. Its IUPAC name is trimethyl-[(1S,2R,5S,6R)-2-phenylmethoxy-6-(phenylmethoxymethyl)-5,6-bis(trimethylsilyloxy)cyclohex-3-en-1-yl]oxysilane.

Molecular Properties

Compound Nametrimethyl-[(1S,2R,5S,6R)-2-phenylmethoxy-6-(phenylmethoxymethyl)-5,6-bis(trimethylsilyloxy)cyclohex-3-en-1-yl]oxysilane
PubChem CID100999150
Molecular FormulaC30H48O5Si3
Molecular Weight572.97 g/mol
Exact Mass572.28
IUPAC Nametrimethyl-[(1S,2R,5S,6R)-2-phenylmethoxy-6-(phenylmethoxymethyl)-5,6-bis(trimethylsilyloxy)cyclohex-3-en-1-yl]oxysilane
SMILESC[Si](C)(C)O[C@H]1C=C[C@@H](OCc2ccccc2)[C@H](O[Si](C)(C)C)[C@]1(COCc1ccccc1)O[Si](C)(C)C
InChIInChI=1S/C30H48O5Si3/c1-36(2,3)33-28-21-20-27(32-23-26-18-14-11-15-19-26)29(34-37(4,5)6)30(28,35-38(7,8)9)24-31-22-25-16-12-10-13-17-25/h10-21,27-29H,22-24H2,1-9H3/t27-,28+,29+,30-/m1/s1
InChIKeyHEIABIUUVWBPNB-IBHPWDLASA-N
XLogP7.39
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500572.97
LogP ≤ 57.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze trimethyl-[(1S,2R,5S,6R)-2-phenylmethoxy-6-(phenylmethoxymethyl)-5,6-bis(trimethylsilyloxy)cyclohex-3-en-1-yl]oxysilane with MolForge

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Related Compounds

methyl (1S,6R)-1-(phenylmethoxymethyl)-6-trimethylsilyloxycyclohexa-2,4-diene-1-carboxylate
CID 90208872
2-methyl-2-(phenylmethoxymethyl)oxirane
CID 4613554
(4S,5R)-5-methyl-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-one
CID 153175222
(1S,2R,5S,6S)-6-bromo-5-[tert-butyl(dimethyl)silyl]oxy-2-phenylmethoxycyclohex-3-en-1-ol
CID 10787877
(2R,3S,4R,5S,6R)-6-methyl-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-2-ol
CID 134856100
(2R,3S,6R)-6-ethenyl-3-phenylmethoxy-2-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran
CID 10544847
(3R,4R)-4-phenylmethoxy-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-3-ol
CID 58859609
[(1R,4S)-1-methyl-4-phenylmethoxycyclopent-2-en-1-yl]methoxymethylbenzene
CID 101105537
(2S,3R)-3-phenylmethoxy-2-(phenylmethoxymethyl)-2,3-dihydrofuran
CID 10780268
(1R,2S,3S,4R,5R,6R)-2,3,4,5-tetrakis(phenylmethoxy)-2-(phenylmethoxymethyl)-7-oxabicyclo[4.1.0]heptane
CID 23241381
(2R,3R,4S,5R)-5-methyl-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-ol
CID 140986765
trans-(3R,4R)-1-butyl-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)cyclobutane-1,2-diol
CID 102349727

Frequently Asked Questions

What is the IUPAC name of trimethyl-[(1S,2R,5S,6R)-2-phenylmethoxy-6-(phenylmethoxymethyl)-5,6-bis(trimethylsilyloxy)cyclohex-3-en-1-yl]oxysilane?
The IUPAC name of trimethyl-[(1S,2R,5S,6R)-2-phenylmethoxy-6-(phenylmethoxymethyl)-5,6-bis(trimethylsilyloxy)cyclohex-3-en-1-yl]oxysilane (CID 100999150) is trimethyl-[(1S,2R,5S,6R)-2-phenylmethoxy-6-(phenylmethoxymethyl)-5,6-bis(trimethylsilyloxy)cyclohex-3-en-1-yl]oxysilane.
What is the SMILES notation for trimethyl-[(1S,2R,5S,6R)-2-phenylmethoxy-6-(phenylmethoxymethyl)-5,6-bis(trimethylsilyloxy)cyclohex-3-en-1-yl]oxysilane?
The canonical SMILES for trimethyl-[(1S,2R,5S,6R)-2-phenylmethoxy-6-(phenylmethoxymethyl)-5,6-bis(trimethylsilyloxy)cyclohex-3-en-1-yl]oxysilane is C[Si](C)(C)O[C@H]1C=C[C@@H](OCc2ccccc2)[C@H](O[Si](C)(C)C)[C@]1(COCc1ccccc1)O[Si](C)(C)C.
What is the InChIKey of trimethyl-[(1S,2R,5S,6R)-2-phenylmethoxy-6-(phenylmethoxymethyl)-5,6-bis(trimethylsilyloxy)cyclohex-3-en-1-yl]oxysilane?
The InChIKey is HEIABIUUVWBPNB-IBHPWDLASA-N. The full InChI is InChI=1S/C30H48O5Si3/c1-36(2,3)33-28-21-20-27(32-23-26-18-14-11-15-19-26)29(34-37(4,5)6)30(28,35-38(7,8)9)24-31-22-25-16-12-10-13-17-25/h10-21,27-29H,22-24H2,1-9H3/t27-,28+,29+,30-/m1/s1.
What are the key properties of trimethyl-[(1S,2R,5S,6R)-2-phenylmethoxy-6-(phenylmethoxymethyl)-5,6-bis(trimethylsilyloxy)cyclohex-3-en-1-yl]oxysilane?
trimethyl-[(1S,2R,5S,6R)-2-phenylmethoxy-6-(phenylmethoxymethyl)-5,6-bis(trimethylsilyloxy)cyclohex-3-en-1-yl]oxysilane has a molecular weight of 572.97 g/mol, XLogP of 7.39, 13 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[(1S,2R,5S,6R)-2-phenylmethoxy-6-(phenylmethoxymethyl)-5,6-bis(trimethylsilyloxy)cyclohex-3-en-1-yl]oxysilane is sourced from PubChem (CID 100999150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).