tert-butyl-diphenyl-[[(4R,5R)-2,2,5-trimethyl-1,3-dioxolan-4-yl]methoxy]silane

C23H32O3Si — CID 135021097

IUPACtert-butyl-diphenyl-[[(4R,5R)-2,2,5-trimethyl-1,3-dioxolan-4-yl]methoxy]silane
SMILESC[C@H]1OC(C)(C)O[C@@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C23H32O3Si/c1-18-21(26-23(5,6)25-18)17-24-27(22(2,3)4,19-13-9-7-10-14-19)20-15-11-8-12-16-20/h7-16,18,21H,17H2,1-6H3/t18-,21-/m1/s1
InChIKeyQXMMHQVZZACYTG-WIYYLYMNSA-N
MW384.59 g/mol
LogP4.10
Rot. Bonds5

About tert-butyl-diphenyl-[[(4R,5R)-2,2,5-trimethyl-1,3-dioxolan-4-yl]methoxy]silane

tert-butyl-diphenyl-[[(4R,5R)-2,2,5-trimethyl-1,3-dioxolan-4-yl]methoxy]silane (PubChem CID 135021097) has the molecular formula C23H32O3Si and a molecular weight of 384.59 g/mol. Its IUPAC name is tert-butyl-diphenyl-[[(4R,5R)-2,2,5-trimethyl-1,3-dioxolan-4-yl]methoxy]silane.

Molecular Properties

Compound Nametert-butyl-diphenyl-[[(4R,5R)-2,2,5-trimethyl-1,3-dioxolan-4-yl]methoxy]silane
PubChem CID135021097
Molecular FormulaC23H32O3Si
Molecular Weight384.59 g/mol
Exact Mass384.21
IUPAC Nametert-butyl-diphenyl-[[(4R,5R)-2,2,5-trimethyl-1,3-dioxolan-4-yl]methoxy]silane
SMILESC[C@H]1OC(C)(C)O[C@@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C23H32O3Si/c1-18-21(26-23(5,6)25-18)17-24-27(22(2,3)4,19-13-9-7-10-14-19)20-15-11-8-12-16-20/h7-16,18,21H,17H2,1-6H3/t18-,21-/m1/s1
InChIKeyQXMMHQVZZACYTG-WIYYLYMNSA-N
XLogP4.10
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.59
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-diphenyl-[[(4R,5R)-2,2,5-trimethyl-1,3-dioxolan-4-yl]methoxy]silane?
The IUPAC name of tert-butyl-diphenyl-[[(4R,5R)-2,2,5-trimethyl-1,3-dioxolan-4-yl]methoxy]silane (CID 135021097) is tert-butyl-diphenyl-[[(4R,5R)-2,2,5-trimethyl-1,3-dioxolan-4-yl]methoxy]silane.
What is the SMILES notation for tert-butyl-diphenyl-[[(4R,5R)-2,2,5-trimethyl-1,3-dioxolan-4-yl]methoxy]silane?
The canonical SMILES for tert-butyl-diphenyl-[[(4R,5R)-2,2,5-trimethyl-1,3-dioxolan-4-yl]methoxy]silane is C[C@H]1OC(C)(C)O[C@@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of tert-butyl-diphenyl-[[(4R,5R)-2,2,5-trimethyl-1,3-dioxolan-4-yl]methoxy]silane?
The InChIKey is QXMMHQVZZACYTG-WIYYLYMNSA-N. The full InChI is InChI=1S/C23H32O3Si/c1-18-21(26-23(5,6)25-18)17-24-27(22(2,3)4,19-13-9-7-10-14-19)20-15-11-8-12-16-20/h7-16,18,21H,17H2,1-6H3/t18-,21-/m1/s1.
What are the key properties of tert-butyl-diphenyl-[[(4R,5R)-2,2,5-trimethyl-1,3-dioxolan-4-yl]methoxy]silane?
tert-butyl-diphenyl-[[(4R,5R)-2,2,5-trimethyl-1,3-dioxolan-4-yl]methoxy]silane has a molecular weight of 384.59 g/mol, XLogP of 4.10, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-diphenyl-[[(4R,5R)-2,2,5-trimethyl-1,3-dioxolan-4-yl]methoxy]silane is sourced from PubChem (CID 135021097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).