tert-butyl-dimethyl-[[1-(phenylmethoxymethyl)-7-oxabicyclo[2.2.1]hept-5-en-2-yl]oxy]silane

C20H30O3Si — CID 117070284

IUPACtert-butyl-dimethyl-[[1-(phenylmethoxymethyl)-7-oxabicyclo[2.2.1]hept-5-en-2-yl]oxy]silane
SMILESCC(C)(C)[Si](C)(C)OC1CC2C=CC1(COCc1ccccc1)O2
InChIInChI=1S/C20H30O3Si/c1-19(2,3)24(4,5)23-18-13-17-11-12-20(18,22-17)15-21-14-16-9-7-6-8-10-16/h6-12,17-18H,13-15H2,1-5H3
InChIKeyYNIODWZFKOLKMC-UHFFFAOYSA-N
MW346.54 g/mol
LogP4.69
Rot. Bonds6

About tert-butyl-dimethyl-[[1-(phenylmethoxymethyl)-7-oxabicyclo[2.2.1]hept-5-en-2-yl]oxy]silane

tert-butyl-dimethyl-[[1-(phenylmethoxymethyl)-7-oxabicyclo[2.2.1]hept-5-en-2-yl]oxy]silane (PubChem CID 117070284) has the molecular formula C20H30O3Si and a molecular weight of 346.54 g/mol. Its IUPAC name is tert-butyl-dimethyl-[[1-(phenylmethoxymethyl)-7-oxabicyclo[2.2.1]hept-5-en-2-yl]oxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[[1-(phenylmethoxymethyl)-7-oxabicyclo[2.2.1]hept-5-en-2-yl]oxy]silane
PubChem CID117070284
Molecular FormulaC20H30O3Si
Molecular Weight346.54 g/mol
Exact Mass346.20
IUPAC Nametert-butyl-dimethyl-[[1-(phenylmethoxymethyl)-7-oxabicyclo[2.2.1]hept-5-en-2-yl]oxy]silane
SMILESCC(C)(C)[Si](C)(C)OC1CC2C=CC1(COCc1ccccc1)O2
InChIInChI=1S/C20H30O3Si/c1-19(2,3)24(4,5)23-18-13-17-11-12-20(18,22-17)15-21-14-16-9-7-6-8-10-16/h6-12,17-18H,13-15H2,1-5H3
InChIKeyYNIODWZFKOLKMC-UHFFFAOYSA-N
XLogP4.69
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.54
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze tert-butyl-dimethyl-[[1-(phenylmethoxymethyl)-7-oxabicyclo[2.2.1]hept-5-en-2-yl]oxy]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

(4S)-1-benzyl-4-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-5-(phenylmethoxymethyl)pyrrolidin-2-one
CID 11236060
[2,6-bis[[tert-butyl(dimethyl)silyl]oxy]-1-methyl-4-phenylmethoxycyclohexyl]oxy-trimethylsilane
CID 69221975
tert-butyl-dimethyl-[[(1S,3R,5R,6S)-1-methyl-3-(phenylmethoxymethyl)-2,7-dioxabicyclo[4.1.0]heptan-5-yl]oxy]silane
CID 11382951
(3R,4S,5S,6R)-3,6-bis[[tert-butyl(dimethyl)silyl]oxy]-4,5-bis(phenylmethoxy)cycloheptan-1-ol
CID 101106224
2-[(1R,3S,5R,6S,8R,10S,12R,13S)-5-[tert-butyl(dimethyl)silyl]oxy-8,10-dimethyl-13-phenylmethoxy-12-(phenylmethoxymethyl)-2,7,11-trioxatricyclo[8.4.0.03,8]tetradecan-6-yl]acetic acid
CID 16720254
[(4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-(phenylmethoxymethyl)cyclopenten-1-yl]methanol
CID 68839728
[(1S,5S,7S,11R,12S,13R,16R)-16-[tert-butyl(dimethyl)silyl]oxy-9,9-dimethyl-4-oxo-13-(phenylmethoxymethyl)-3,8,10-trioxatetracyclo[10.4.0.01,5.07,11]hexadecan-13-yl]methyl methanesulfonate
CID 11734828
(1S,2R,3R,4R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxy-4-(phenylmethoxymethyl)cyclohexane-1,2-diol
CID 53473858
tert-butyl-[[(8R,9S,10S,11R)-8-[tert-butyl(dimethyl)silyl]oxy-9,10-bis(phenylmethoxy)-1,5-dithiaspiro[5.6]dodecan-11-yl]oxy]-dimethylsilane
CID 11319886
tert-butyl-[(1R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methyl-5-phenylmethoxycyclohexyl]oxy-dimethylsilane
CID 67591786
(1R,5S)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(phenylmethoxymethoxymethyl)-8-oxabicyclo[3.2.1]oct-6-en-3-one
CID 11270063
(1S,5S)-2,4-dibromo-1-(phenylmethoxymethyl)-8-oxabicyclo[3.2.1]oct-6-en-3-one
CID 134882934

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[[1-(phenylmethoxymethyl)-7-oxabicyclo[2.2.1]hept-5-en-2-yl]oxy]silane?
The IUPAC name of tert-butyl-dimethyl-[[1-(phenylmethoxymethyl)-7-oxabicyclo[2.2.1]hept-5-en-2-yl]oxy]silane (CID 117070284) is tert-butyl-dimethyl-[[1-(phenylmethoxymethyl)-7-oxabicyclo[2.2.1]hept-5-en-2-yl]oxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[[1-(phenylmethoxymethyl)-7-oxabicyclo[2.2.1]hept-5-en-2-yl]oxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[[1-(phenylmethoxymethyl)-7-oxabicyclo[2.2.1]hept-5-en-2-yl]oxy]silane is CC(C)(C)[Si](C)(C)OC1CC2C=CC1(COCc1ccccc1)O2.
What is the InChIKey of tert-butyl-dimethyl-[[1-(phenylmethoxymethyl)-7-oxabicyclo[2.2.1]hept-5-en-2-yl]oxy]silane?
The InChIKey is YNIODWZFKOLKMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30O3Si/c1-19(2,3)24(4,5)23-18-13-17-11-12-20(18,22-17)15-21-14-16-9-7-6-8-10-16/h6-12,17-18H,13-15H2,1-5H3.
What are the key properties of tert-butyl-dimethyl-[[1-(phenylmethoxymethyl)-7-oxabicyclo[2.2.1]hept-5-en-2-yl]oxy]silane?
tert-butyl-dimethyl-[[1-(phenylmethoxymethyl)-7-oxabicyclo[2.2.1]hept-5-en-2-yl]oxy]silane has a molecular weight of 346.54 g/mol, XLogP of 4.69, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[[1-(phenylmethoxymethyl)-7-oxabicyclo[2.2.1]hept-5-en-2-yl]oxy]silane is sourced from PubChem (CID 117070284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).