trimethyl-[2-[(2S,5R,6R)-6-(phenylmethoxymethyl)-5-trityloxyoxan-2-yl]ethynyl]silane

C37H40O3Si — CID 175267001

IUPACtrimethyl-[2-[(2S,5R,6R)-6-(phenylmethoxymethyl)-5-trityloxyoxan-2-yl]ethynyl]silane
SMILESC[Si](C)(C)C#C[C@@H]1CC[C@@H](OC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@@H](COCc2ccccc2)O1
InChIInChI=1S/C37H40O3Si/c1-41(2,3)27-26-34-24-25-35(36(39-34)29-38-28-30-16-8-4-9-17-30)40-37(31-18-10-5-11-19-31,32-20-12-6-13-21-32)33-22-14-7-15-23-33/h4-23,34-36H,24-25,28-29H2,1-3H3/t34-,35+,36+/m0/s1
InChIKeyFASVGOMVVUTYEH-LIVOIKKVSA-N
MW560.81 g/mol
LogP8.01
Rot. Bonds9

About trimethyl-[2-[(2S,5R,6R)-6-(phenylmethoxymethyl)-5-trityloxyoxan-2-yl]ethynyl]silane

trimethyl-[2-[(2S,5R,6R)-6-(phenylmethoxymethyl)-5-trityloxyoxan-2-yl]ethynyl]silane (PubChem CID 175267001) has the molecular formula C37H40O3Si and a molecular weight of 560.81 g/mol. Its IUPAC name is trimethyl-[2-[(2S,5R,6R)-6-(phenylmethoxymethyl)-5-trityloxyoxan-2-yl]ethynyl]silane.

Molecular Properties

Compound Nametrimethyl-[2-[(2S,5R,6R)-6-(phenylmethoxymethyl)-5-trityloxyoxan-2-yl]ethynyl]silane
PubChem CID175267001
Molecular FormulaC37H40O3Si
Molecular Weight560.81 g/mol
Exact Mass560.27
IUPAC Nametrimethyl-[2-[(2S,5R,6R)-6-(phenylmethoxymethyl)-5-trityloxyoxan-2-yl]ethynyl]silane
SMILESC[Si](C)(C)C#C[C@@H]1CC[C@@H](OC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@@H](COCc2ccccc2)O1
InChIInChI=1S/C37H40O3Si/c1-41(2,3)27-26-34-24-25-35(36(39-34)29-38-28-30-16-8-4-9-17-30)40-37(31-18-10-5-11-19-31,32-20-12-6-13-21-32)33-22-14-7-15-23-33/h4-23,34-36H,24-25,28-29H2,1-3H3/t34-,35+,36+/m0/s1
InChIKeyFASVGOMVVUTYEH-LIVOIKKVSA-N
XLogP8.01
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.81
LogP ≤ 58.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze trimethyl-[2-[(2S,5R,6R)-6-(phenylmethoxymethyl)-5-trityloxyoxan-2-yl]ethynyl]silane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(phenylmethoxymethyl)-3-trityloxyoxan-2-ol
CID 164578316
trimethyl-[2-[(1R,2R,3R)-2-methyl-3-(phenylmethoxymethyl)cyclopropyl]ethynyl]silane
CID 10564136
(2R,3S,5R)-5-ethynyl-3-phenylmethoxy-2-(phenylmethoxymethyl)oxolane
CID 11484097
(2S,3S,4R,5S,6R)-5-[(2R,3S,4S,5S,6R)-3,4-dihydroxy-6-(phenylmethoxymethyl)-5-trityloxyoxan-2-yl]oxy-6-(phenylmethoxymethyl)oxane-2,3,4-triol
CID 171127058
trimethyl-[(2S,3S)-3-(phenylmethoxymethyl)oxiran-2-yl]silane
CID 11736511
(3R)-2-ethyl-3-(phenylmethoxymethyl)oxirane
CID 165104713
(2R,3R,4R,5R)-3,4-bis(phenylmethoxy)-2,5-bis(phenylmethoxymethyl)oxolane
CID 14020682
(2R,3S,5R)-3-phenylmethoxy-2-(phenylmethoxymethyl)-5-(2-thiophen-2-ylethynyl)oxolane
CID 101237260
(2R,4S,5R)-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolane-2-carboxylic acid
CID 11382284
trimethyl-[(3Z)-3-[(3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ylidene]prop-1-ynyl]silane
CID 102072085
trimethyl-[[(2R,5S)-5-(phenylmethoxymethyl)oxolan-2-yl]methyl]silane
CID 100983477
triphenyl-[(2R,4S,5R)-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-yl]phosphanium
CID 11828410

Frequently Asked Questions

What is the IUPAC name of trimethyl-[2-[(2S,5R,6R)-6-(phenylmethoxymethyl)-5-trityloxyoxan-2-yl]ethynyl]silane?
The IUPAC name of trimethyl-[2-[(2S,5R,6R)-6-(phenylmethoxymethyl)-5-trityloxyoxan-2-yl]ethynyl]silane (CID 175267001) is trimethyl-[2-[(2S,5R,6R)-6-(phenylmethoxymethyl)-5-trityloxyoxan-2-yl]ethynyl]silane.
What is the SMILES notation for trimethyl-[2-[(2S,5R,6R)-6-(phenylmethoxymethyl)-5-trityloxyoxan-2-yl]ethynyl]silane?
The canonical SMILES for trimethyl-[2-[(2S,5R,6R)-6-(phenylmethoxymethyl)-5-trityloxyoxan-2-yl]ethynyl]silane is C[Si](C)(C)C#C[C@@H]1CC[C@@H](OC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@@H](COCc2ccccc2)O1.
What is the InChIKey of trimethyl-[2-[(2S,5R,6R)-6-(phenylmethoxymethyl)-5-trityloxyoxan-2-yl]ethynyl]silane?
The InChIKey is FASVGOMVVUTYEH-LIVOIKKVSA-N. The full InChI is InChI=1S/C37H40O3Si/c1-41(2,3)27-26-34-24-25-35(36(39-34)29-38-28-30-16-8-4-9-17-30)40-37(31-18-10-5-11-19-31,32-20-12-6-13-21-32)33-22-14-7-15-23-33/h4-23,34-36H,24-25,28-29H2,1-3H3/t34-,35+,36+/m0/s1.
What are the key properties of trimethyl-[2-[(2S,5R,6R)-6-(phenylmethoxymethyl)-5-trityloxyoxan-2-yl]ethynyl]silane?
trimethyl-[2-[(2S,5R,6R)-6-(phenylmethoxymethyl)-5-trityloxyoxan-2-yl]ethynyl]silane has a molecular weight of 560.81 g/mol, XLogP of 8.01, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-[(2S,5R,6R)-6-(phenylmethoxymethyl)-5-trityloxyoxan-2-yl]ethynyl]silane is sourced from PubChem (CID 175267001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).