tert-butyl-dimethyl-[[(1S,5S)-5-methyl-6,6-diphenyl-2,7-dioxabicyclo[3.2.0]hept-3-en-1-yl]oxy]silane

C24H30O3Si — CID 10739426

IUPACtert-butyl-dimethyl-[[(1S,5S)-5-methyl-6,6-diphenyl-2,7-dioxabicyclo[3.2.0]hept-3-en-1-yl]oxy]silane
SMILESCC(C)(C)[Si](C)(C)O[C@]12OC=C[C@@]1(C)C(c1ccccc1)(c1ccccc1)O2
InChIInChI=1S/C24H30O3Si/c1-21(2,3)28(5,6)27-24-22(4,17-18-25-24)23(26-24,19-13-9-7-10-14-19)20-15-11-8-12-16-20/h7-18H,1-6H3/t22-,24-/m0/s1
InChIKeyKQJFYGSEPZFZRB-UPVQGACJSA-N
MW394.59 g/mol
LogP6.19
Rot. Bonds4

About tert-butyl-dimethyl-[[(1S,5S)-5-methyl-6,6-diphenyl-2,7-dioxabicyclo[3.2.0]hept-3-en-1-yl]oxy]silane

tert-butyl-dimethyl-[[(1S,5S)-5-methyl-6,6-diphenyl-2,7-dioxabicyclo[3.2.0]hept-3-en-1-yl]oxy]silane (PubChem CID 10739426) has the molecular formula C24H30O3Si and a molecular weight of 394.59 g/mol. Its IUPAC name is tert-butyl-dimethyl-[[(1S,5S)-5-methyl-6,6-diphenyl-2,7-dioxabicyclo[3.2.0]hept-3-en-1-yl]oxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[[(1S,5S)-5-methyl-6,6-diphenyl-2,7-dioxabicyclo[3.2.0]hept-3-en-1-yl]oxy]silane
PubChem CID10739426
Molecular FormulaC24H30O3Si
Molecular Weight394.59 g/mol
Exact Mass394.20
IUPAC Nametert-butyl-dimethyl-[[(1S,5S)-5-methyl-6,6-diphenyl-2,7-dioxabicyclo[3.2.0]hept-3-en-1-yl]oxy]silane
SMILESCC(C)(C)[Si](C)(C)O[C@]12OC=C[C@@]1(C)C(c1ccccc1)(c1ccccc1)O2
InChIInChI=1S/C24H30O3Si/c1-21(2,3)28(5,6)27-24-22(4,17-18-25-24)23(26-24,19-13-9-7-10-14-19)20-15-11-8-12-16-20/h7-18H,1-6H3/t22-,24-/m0/s1
InChIKeyKQJFYGSEPZFZRB-UPVQGACJSA-N
XLogP6.19
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.59
LogP ≤ 56.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze tert-butyl-dimethyl-[[(1S,5S)-5-methyl-6,6-diphenyl-2,7-dioxabicyclo[3.2.0]hept-3-en-1-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

tert-butyl-[[(2S,3R)-2-ethyl-3-methyl-3-phenyloxiran-2-yl]methoxy]-dimethylsilane
CID 101364464
tert-butyl-(2,2-difluoro-3-methyl-1-phenylcyclopropyl)oxy-dimethylsilane
CID 162540016
dimethyl (1R,8S,9S,10S)-1-[tert-butyl(dimethyl)silyl]oxy-8-phenyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6-triene-9,10-dicarboxylate
CID 138973205
tert-butyl-(2,3-dimethylquinolin-4-yl)oxy-dimethylsilane
CID 58625508
tert-butyl-dimethyl-[[(1R,8R)-8-phenyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraen-1-yl]methoxy]silane
CID 71551467
tert-butyl-[(3S,4R)-2,2-dimethyl-3-methylsulfanyl-4-phenyloxetan-3-yl]oxy-dimethylsilane
CID 101051271
tert-butyl-dimethyl-[[(3S,5S)-2-methyl-5-phenyl-3-propan-2-yl-1,2-oxazolidin-5-yl]oxy]silane
CID 134924163
(2,2,3-trimethyl-4,4-diphenyloxetan-3-yl)methanol
CID 15531973
tert-butyl-[(3S,4S)-2,2-dimethyl-4-phenyl-3-phenylselanyloxetan-3-yl]oxy-dimethylsilane
CID 15517186
4-[tert-butyl(dimethyl)silyl]oxynaphthalen-1-amine
CID 58260729
trimethyl-[(1R,2R)-1-methyl-2-phenyl-2-trimethylsilyloxycyclopropyl]oxysilane
CID 102015524
tert-butyl-[12-[tert-butyl(dimethyl)silyl]oxychrysen-6-yl]oxy-dimethylsilane
CID 15399749

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[[(1S,5S)-5-methyl-6,6-diphenyl-2,7-dioxabicyclo[3.2.0]hept-3-en-1-yl]oxy]silane?
The IUPAC name of tert-butyl-dimethyl-[[(1S,5S)-5-methyl-6,6-diphenyl-2,7-dioxabicyclo[3.2.0]hept-3-en-1-yl]oxy]silane (CID 10739426) is tert-butyl-dimethyl-[[(1S,5S)-5-methyl-6,6-diphenyl-2,7-dioxabicyclo[3.2.0]hept-3-en-1-yl]oxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[[(1S,5S)-5-methyl-6,6-diphenyl-2,7-dioxabicyclo[3.2.0]hept-3-en-1-yl]oxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[[(1S,5S)-5-methyl-6,6-diphenyl-2,7-dioxabicyclo[3.2.0]hept-3-en-1-yl]oxy]silane is CC(C)(C)[Si](C)(C)O[C@]12OC=C[C@@]1(C)C(c1ccccc1)(c1ccccc1)O2.
What is the InChIKey of tert-butyl-dimethyl-[[(1S,5S)-5-methyl-6,6-diphenyl-2,7-dioxabicyclo[3.2.0]hept-3-en-1-yl]oxy]silane?
The InChIKey is KQJFYGSEPZFZRB-UPVQGACJSA-N. The full InChI is InChI=1S/C24H30O3Si/c1-21(2,3)28(5,6)27-24-22(4,17-18-25-24)23(26-24,19-13-9-7-10-14-19)20-15-11-8-12-16-20/h7-18H,1-6H3/t22-,24-/m0/s1.
What are the key properties of tert-butyl-dimethyl-[[(1S,5S)-5-methyl-6,6-diphenyl-2,7-dioxabicyclo[3.2.0]hept-3-en-1-yl]oxy]silane?
tert-butyl-dimethyl-[[(1S,5S)-5-methyl-6,6-diphenyl-2,7-dioxabicyclo[3.2.0]hept-3-en-1-yl]oxy]silane has a molecular weight of 394.59 g/mol, XLogP of 6.19, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[[(1S,5S)-5-methyl-6,6-diphenyl-2,7-dioxabicyclo[3.2.0]hept-3-en-1-yl]oxy]silane is sourced from PubChem (CID 10739426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).