triethyl-[(3S,4S,5R,6S)-5-methyl-2-methylidene-6-(2-phenylmethoxyethyl)-3-triethylsilyloxyoxan-4-yl]oxysilane

C28H50O4Si2 — CID 46209621

IUPACtriethyl-[(3S,4S,5R,6S)-5-methyl-2-methylidene-6-(2-phenylmethoxyethyl)-3-triethylsilyloxyoxan-4-yl]oxysilane
SMILESC=C1O[C@@H](CCOCc2ccccc2)[C@@H](C)[C@H](O[Si](CC)(CC)CC)[C@@H]1O[Si](CC)(CC)CC
InChIInChI=1S/C28H50O4Si2/c1-9-33(10-2,11-3)31-27-23(7)26(20-21-29-22-25-18-16-15-17-19-25)30-24(8)28(27)32-34(12-4,13-5)14-6/h15-19,23,26-28H,8-14,20-22H2,1-7H3/t23-,26+,27+,28-/m1/s1
InChIKeyCMYNLLZIFORGRU-HBMTYJCASA-N
MW506.88 g/mol
LogP7.92
Rot. Bonds15

About triethyl-[(3S,4S,5R,6S)-5-methyl-2-methylidene-6-(2-phenylmethoxyethyl)-3-triethylsilyloxyoxan-4-yl]oxysilane

triethyl-[(3S,4S,5R,6S)-5-methyl-2-methylidene-6-(2-phenylmethoxyethyl)-3-triethylsilyloxyoxan-4-yl]oxysilane (PubChem CID 46209621) has the molecular formula C28H50O4Si2 and a molecular weight of 506.88 g/mol. Its IUPAC name is triethyl-[(3S,4S,5R,6S)-5-methyl-2-methylidene-6-(2-phenylmethoxyethyl)-3-triethylsilyloxyoxan-4-yl]oxysilane.

Molecular Properties

Compound Nametriethyl-[(3S,4S,5R,6S)-5-methyl-2-methylidene-6-(2-phenylmethoxyethyl)-3-triethylsilyloxyoxan-4-yl]oxysilane
PubChem CID46209621
Molecular FormulaC28H50O4Si2
Molecular Weight506.88 g/mol
Exact Mass506.32
IUPAC Nametriethyl-[(3S,4S,5R,6S)-5-methyl-2-methylidene-6-(2-phenylmethoxyethyl)-3-triethylsilyloxyoxan-4-yl]oxysilane
SMILESC=C1O[C@@H](CCOCc2ccccc2)[C@@H](C)[C@H](O[Si](CC)(CC)CC)[C@@H]1O[Si](CC)(CC)CC
InChIInChI=1S/C28H50O4Si2/c1-9-33(10-2,11-3)31-27-23(7)26(20-21-29-22-25-18-16-15-17-19-25)30-24(8)28(27)32-34(12-4,13-5)14-6/h15-19,23,26-28H,8-14,20-22H2,1-7H3/t23-,26+,27+,28-/m1/s1
InChIKeyCMYNLLZIFORGRU-HBMTYJCASA-N
XLogP7.92
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.88
LogP ≤ 57.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze triethyl-[(3S,4S,5R,6S)-5-methyl-2-methylidene-6-(2-phenylmethoxyethyl)-3-triethylsilyloxyoxan-4-yl]oxysilane 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

(3R,4S,5S,6S)-3,5-dimethyl-6-(2-phenylmethoxyethyl)-4-triethylsilyloxyoxan-2-one
CID 11361365
(3R,4S,5S,6R)-3,5-dimethyl-4-phenylmethoxy-6-(2-phenylmethoxyethyl)oxan-2-one
CID 134866923
triethyl-[[(2R,3S,4S)-3-methyl-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-4-yl]oxy]silane
CID 134883116
2-[(1R)-2-methylcyclopropyl]ethoxymethylbenzene
CID 158778090
(2S,3S,4S,8S,9S,10S)-4,10-dimethyl-2,8-bis(2-phenylmethoxyethyl)-1,7-dioxaspiro[5.5]undecane-3,9-diol
CID 11799077
[(2R,3S,6S,8R,9S)-3,9-dimethyl-8-(2-phenylmethoxyethyl)-1,7-dioxaspiro[5.5]undecan-2-yl]methanol
CID 11371480
(4R,5R)-4-heptyl-2,2-dimethyl-5-(2-phenylmethoxyethyl)-1,3-dioxolane
CID 56594681
(2S,3R)-3-(2-phenylmethoxyethyl)oxirane-2-carbaldehyde
CID 131847944
2,2-dimethyl-5-(2-phenylmethoxyethyl)-1,3-dioxane
CID 85248081
3-(2-phenylmethoxyethyl)-1,4-dioxan-2-one
CID 154697506
tert-butyl-dimethyl-[(2R,3R,6S)-4-methylidene-6-(2-phenylmethoxyethyl)-2-prop-2-enyloxan-3-yl]oxysilane
CID 102400011
tert-butyl-[(3R,6S)-2-methoxy-4-methylidene-6-(2-phenylmethoxyethyl)oxan-3-yl]oxy-dimethylsilane
CID 102400006

Frequently Asked Questions

What is the IUPAC name of triethyl-[(3S,4S,5R,6S)-5-methyl-2-methylidene-6-(2-phenylmethoxyethyl)-3-triethylsilyloxyoxan-4-yl]oxysilane?
The IUPAC name of triethyl-[(3S,4S,5R,6S)-5-methyl-2-methylidene-6-(2-phenylmethoxyethyl)-3-triethylsilyloxyoxan-4-yl]oxysilane (CID 46209621) is triethyl-[(3S,4S,5R,6S)-5-methyl-2-methylidene-6-(2-phenylmethoxyethyl)-3-triethylsilyloxyoxan-4-yl]oxysilane.
What is the SMILES notation for triethyl-[(3S,4S,5R,6S)-5-methyl-2-methylidene-6-(2-phenylmethoxyethyl)-3-triethylsilyloxyoxan-4-yl]oxysilane?
The canonical SMILES for triethyl-[(3S,4S,5R,6S)-5-methyl-2-methylidene-6-(2-phenylmethoxyethyl)-3-triethylsilyloxyoxan-4-yl]oxysilane is C=C1O[C@@H](CCOCc2ccccc2)[C@@H](C)[C@H](O[Si](CC)(CC)CC)[C@@H]1O[Si](CC)(CC)CC.
What is the InChIKey of triethyl-[(3S,4S,5R,6S)-5-methyl-2-methylidene-6-(2-phenylmethoxyethyl)-3-triethylsilyloxyoxan-4-yl]oxysilane?
The InChIKey is CMYNLLZIFORGRU-HBMTYJCASA-N. The full InChI is InChI=1S/C28H50O4Si2/c1-9-33(10-2,11-3)31-27-23(7)26(20-21-29-22-25-18-16-15-17-19-25)30-24(8)28(27)32-34(12-4,13-5)14-6/h15-19,23,26-28H,8-14,20-22H2,1-7H3/t23-,26+,27+,28-/m1/s1.
What are the key properties of triethyl-[(3S,4S,5R,6S)-5-methyl-2-methylidene-6-(2-phenylmethoxyethyl)-3-triethylsilyloxyoxan-4-yl]oxysilane?
triethyl-[(3S,4S,5R,6S)-5-methyl-2-methylidene-6-(2-phenylmethoxyethyl)-3-triethylsilyloxyoxan-4-yl]oxysilane has a molecular weight of 506.88 g/mol, XLogP of 7.92, 15 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-[(3S,4S,5R,6S)-5-methyl-2-methylidene-6-(2-phenylmethoxyethyl)-3-triethylsilyloxyoxan-4-yl]oxysilane is sourced from PubChem (CID 46209621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).