tert-butyl-[3-[3-methoxy-4,4-di(propan-2-yl)dioxetan-3-yl]phenoxy]-dimethylsilane

C21H36O4Si — CID 15389178

IUPACtert-butyl-[3-[3-methoxy-4,4-di(propan-2-yl)dioxetan-3-yl]phenoxy]-dimethylsilane
SMILESCOC1(c2cccc(O[Si](C)(C)C(C)(C)C)c2)OOC1(C(C)C)C(C)C
InChIInChI=1S/C21H36O4Si/c1-15(2)20(16(3)4)21(22-8,25-24-20)17-12-11-13-18(14-17)23-26(9,10)19(5,6)7/h11-16H,1-10H3
InChIKeyFBKOAOQXVLKOIS-UHFFFAOYSA-N
MW380.60 g/mol
LogP5.88
Rot. Bonds6

About tert-butyl-[3-[3-methoxy-4,4-di(propan-2-yl)dioxetan-3-yl]phenoxy]-dimethylsilane

tert-butyl-[3-[3-methoxy-4,4-di(propan-2-yl)dioxetan-3-yl]phenoxy]-dimethylsilane (PubChem CID 15389178) has the molecular formula C21H36O4Si and a molecular weight of 380.60 g/mol. Its IUPAC name is tert-butyl-[3-[3-methoxy-4,4-di(propan-2-yl)dioxetan-3-yl]phenoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[3-[3-methoxy-4,4-di(propan-2-yl)dioxetan-3-yl]phenoxy]-dimethylsilane
PubChem CID15389178
Molecular FormulaC21H36O4Si
Molecular Weight380.60 g/mol
Exact Mass380.24
IUPAC Nametert-butyl-[3-[3-methoxy-4,4-di(propan-2-yl)dioxetan-3-yl]phenoxy]-dimethylsilane
SMILESCOC1(c2cccc(O[Si](C)(C)C(C)(C)C)c2)OOC1(C(C)C)C(C)C
InChIInChI=1S/C21H36O4Si/c1-15(2)20(16(3)4)21(22-8,25-24-20)17-12-11-13-18(14-17)23-26(9,10)19(5,6)7/h11-16H,1-10H3
InChIKeyFBKOAOQXVLKOIS-UHFFFAOYSA-N
XLogP5.88
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.60
LogP ≤ 55.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze tert-butyl-[3-[3-methoxy-4,4-di(propan-2-yl)dioxetan-3-yl]phenoxy]-dimethylsilane with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[3-[3-methoxy-4,4-di(propan-2-yl)dioxetan-3-yl]phenoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[3-[3-methoxy-4,4-di(propan-2-yl)dioxetan-3-yl]phenoxy]-dimethylsilane (CID 15389178) is tert-butyl-[3-[3-methoxy-4,4-di(propan-2-yl)dioxetan-3-yl]phenoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[3-[3-methoxy-4,4-di(propan-2-yl)dioxetan-3-yl]phenoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[3-[3-methoxy-4,4-di(propan-2-yl)dioxetan-3-yl]phenoxy]-dimethylsilane is COC1(c2cccc(O[Si](C)(C)C(C)(C)C)c2)OOC1(C(C)C)C(C)C.
What is the InChIKey of tert-butyl-[3-[3-methoxy-4,4-di(propan-2-yl)dioxetan-3-yl]phenoxy]-dimethylsilane?
The InChIKey is FBKOAOQXVLKOIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36O4Si/c1-15(2)20(16(3)4)21(22-8,25-24-20)17-12-11-13-18(14-17)23-26(9,10)19(5,6)7/h11-16H,1-10H3.
What are the key properties of tert-butyl-[3-[3-methoxy-4,4-di(propan-2-yl)dioxetan-3-yl]phenoxy]-dimethylsilane?
tert-butyl-[3-[3-methoxy-4,4-di(propan-2-yl)dioxetan-3-yl]phenoxy]-dimethylsilane has a molecular weight of 380.60 g/mol, XLogP of 5.88, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[3-[3-methoxy-4,4-di(propan-2-yl)dioxetan-3-yl]phenoxy]-dimethylsilane is sourced from PubChem (CID 15389178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).