methyl 2-[(2R,3S,4S,6S)-3-methyl-6-(2-phenylmethoxyethyl)-4-tri(propan-2-yl)silyloxyoxan-2-yl]acetate

C27H46O5Si — CID 10885293

IUPACmethyl 2-[(2R,3S,4S,6S)-3-methyl-6-(2-phenylmethoxyethyl)-4-tri(propan-2-yl)silyloxyoxan-2-yl]acetate
SMILESCOC(=O)C[C@H]1O[C@@H](CCOCc2ccccc2)C[C@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@H]1C
InChIInChI=1S/C27H46O5Si/c1-19(2)33(20(3)4,21(5)6)32-26-16-24(31-25(22(26)7)17-27(28)29-8)14-15-30-18-23-12-10-9-11-13-23/h9-13,19-22,24-26H,14-18H2,1-8H3/t22-,24-,25+,26-/m0/s1
InChIKeyBWQMUOHTBQMGKI-MNPUUQGPSA-N
MW478.75 g/mol
LogP6.51
Rot. Bonds12

About methyl 2-[(2R,3S,4S,6S)-3-methyl-6-(2-phenylmethoxyethyl)-4-tri(propan-2-yl)silyloxyoxan-2-yl]acetate

methyl 2-[(2R,3S,4S,6S)-3-methyl-6-(2-phenylmethoxyethyl)-4-tri(propan-2-yl)silyloxyoxan-2-yl]acetate (PubChem CID 10885293) has the molecular formula C27H46O5Si and a molecular weight of 478.75 g/mol. Its IUPAC name is methyl 2-[(2R,3S,4S,6S)-3-methyl-6-(2-phenylmethoxyethyl)-4-tri(propan-2-yl)silyloxyoxan-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[(2R,3S,4S,6S)-3-methyl-6-(2-phenylmethoxyethyl)-4-tri(propan-2-yl)silyloxyoxan-2-yl]acetate
PubChem CID10885293
Molecular FormulaC27H46O5Si
Molecular Weight478.75 g/mol
Exact Mass478.31
IUPAC Namemethyl 2-[(2R,3S,4S,6S)-3-methyl-6-(2-phenylmethoxyethyl)-4-tri(propan-2-yl)silyloxyoxan-2-yl]acetate
SMILESCOC(=O)C[C@H]1O[C@@H](CCOCc2ccccc2)C[C@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@H]1C
InChIInChI=1S/C27H46O5Si/c1-19(2)33(20(3)4,21(5)6)32-26-16-24(31-25(22(26)7)17-27(28)29-8)14-15-30-18-23-12-10-9-11-13-23/h9-13,19-22,24-26H,14-18H2,1-8H3/t22-,24-,25+,26-/m0/s1
InChIKeyBWQMUOHTBQMGKI-MNPUUQGPSA-N
XLogP6.51
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.75
LogP ≤ 56.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze methyl 2-[(2R,3S,4S,6S)-3-methyl-6-(2-phenylmethoxyethyl)-4-tri(propan-2-yl)silyloxyoxan-2-yl]acetate 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

(1R,2S,5S,10S,12E,14S,15S,16S,17S,18R)-1,17-Dihydroxy-10,18-dimethoxy-2,14,16-trimethyl-5-phenyl-4,19-dioxabicyclo(13.3.1)nonadec-12-en-3-one
CID 72725084
Ethyl 2-ethyl-3-methyl-4-oxo-6-phenyl-3,4-dihydro-2h-pyran-5-carboxylate
CID 185056
(2S,3S)-3-Benzoyloxy-8-oxa-bicyclo[3.2.1]octane-2-carboxylic acid methyl ester
CID 44297304
(2R,3S)-3-Benzoyloxy-8-oxa-bicyclo[3.2.1]octane-2-carboxylic acid methyl ester
CID 44297322
benzyl 2-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]acetate
CID 12192987
methyl 2-[(2R,4S,5S,6R)-4,5-dihydroxy-6-phenyloxan-2-yl]acetate
CID 16079978
(2R,3R)-3-Benzoyloxy-8-oxa-bicyclo[3.2.1]octane-2-carboxylic acid methyl ester
CID 44297337
(2S,3R)-3-Benzoyloxy-8-oxa-bicyclo[3.2.1]octane-2-carboxylic acid methyl ester
CID 44297338
methyl 2-[(2R,4S,5S,6S)-4,5-dihydroxy-6-phenyloxan-2-yl]acetate
CID 162983830
(2S,3S,5R)-5-(benzyloxy)-2-hexyl-3-hydroxyhexadecanoic acid
CID 10479487
Tetrahydro-2-phenyl-2H-pyran-3-carboxylic acid
CID 45791754
rac-(2R,3R)-2-phenyloxane-3-carboxylic acid
CID 51723209

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2R,3S,4S,6S)-3-methyl-6-(2-phenylmethoxyethyl)-4-tri(propan-2-yl)silyloxyoxan-2-yl]acetate?
The IUPAC name of methyl 2-[(2R,3S,4S,6S)-3-methyl-6-(2-phenylmethoxyethyl)-4-tri(propan-2-yl)silyloxyoxan-2-yl]acetate (CID 10885293) is methyl 2-[(2R,3S,4S,6S)-3-methyl-6-(2-phenylmethoxyethyl)-4-tri(propan-2-yl)silyloxyoxan-2-yl]acetate.
What is the SMILES notation for methyl 2-[(2R,3S,4S,6S)-3-methyl-6-(2-phenylmethoxyethyl)-4-tri(propan-2-yl)silyloxyoxan-2-yl]acetate?
The canonical SMILES for methyl 2-[(2R,3S,4S,6S)-3-methyl-6-(2-phenylmethoxyethyl)-4-tri(propan-2-yl)silyloxyoxan-2-yl]acetate is COC(=O)C[C@H]1O[C@@H](CCOCc2ccccc2)C[C@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@H]1C.
What is the InChIKey of methyl 2-[(2R,3S,4S,6S)-3-methyl-6-(2-phenylmethoxyethyl)-4-tri(propan-2-yl)silyloxyoxan-2-yl]acetate?
The InChIKey is BWQMUOHTBQMGKI-MNPUUQGPSA-N. The full InChI is InChI=1S/C27H46O5Si/c1-19(2)33(20(3)4,21(5)6)32-26-16-24(31-25(22(26)7)17-27(28)29-8)14-15-30-18-23-12-10-9-11-13-23/h9-13,19-22,24-26H,14-18H2,1-8H3/t22-,24-,25+,26-/m0/s1.
What are the key properties of methyl 2-[(2R,3S,4S,6S)-3-methyl-6-(2-phenylmethoxyethyl)-4-tri(propan-2-yl)silyloxyoxan-2-yl]acetate?
methyl 2-[(2R,3S,4S,6S)-3-methyl-6-(2-phenylmethoxyethyl)-4-tri(propan-2-yl)silyloxyoxan-2-yl]acetate has a molecular weight of 478.75 g/mol, XLogP of 6.51, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2R,3S,4S,6S)-3-methyl-6-(2-phenylmethoxyethyl)-4-tri(propan-2-yl)silyloxyoxan-2-yl]acetate is sourced from PubChem (CID 10885293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).