tert-butyl-[[4-[3-(1,3-dioxolan-2-yl)propyl]phenyl]methoxy]-diphenylsilane

C29H36O3Si — CID 19694134

IUPACtert-butyl-[[4-[3-(1,3-dioxolan-2-yl)propyl]phenyl]methoxy]-diphenylsilane
SMILESCC(C)(C)[Si](OCc1ccc(CCCC2OCCO2)cc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H36O3Si/c1-29(2,3)33(26-12-6-4-7-13-26,27-14-8-5-9-15-27)32-23-25-19-17-24(18-20-25)11-10-16-28-30-21-22-31-28/h4-9,12-15,17-20,28H,10-11,16,21-23H2,1-3H3
InChIKeyZLQVVEUBBDBXRZ-UHFFFAOYSA-N
MW460.69 g/mol
LogP5.46
Rot. Bonds9

About tert-butyl-[[4-[3-(1,3-dioxolan-2-yl)propyl]phenyl]methoxy]-diphenylsilane

tert-butyl-[[4-[3-(1,3-dioxolan-2-yl)propyl]phenyl]methoxy]-diphenylsilane (PubChem CID 19694134) has the molecular formula C29H36O3Si and a molecular weight of 460.69 g/mol. Its IUPAC name is tert-butyl-[[4-[3-(1,3-dioxolan-2-yl)propyl]phenyl]methoxy]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[[4-[3-(1,3-dioxolan-2-yl)propyl]phenyl]methoxy]-diphenylsilane
PubChem CID19694134
Molecular FormulaC29H36O3Si
Molecular Weight460.69 g/mol
Exact Mass460.24
IUPAC Nametert-butyl-[[4-[3-(1,3-dioxolan-2-yl)propyl]phenyl]methoxy]-diphenylsilane
SMILESCC(C)(C)[Si](OCc1ccc(CCCC2OCCO2)cc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H36O3Si/c1-29(2,3)33(26-12-6-4-7-13-26,27-14-8-5-9-15-27)32-23-25-19-17-24(18-20-25)11-10-16-28-30-21-22-31-28/h4-9,12-15,17-20,28H,10-11,16,21-23H2,1-3H3
InChIKeyZLQVVEUBBDBXRZ-UHFFFAOYSA-N
XLogP5.46
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.69
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-[2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(1,3-dioxolan-2-yl)butoxy]-diphenylsilane
CID 10439261
tert-butyl-[(4-tert-butylphenyl)methoxy]-diphenylsilane
CID 135028969
4-[4-[tert-butyl(diphenyl)silyl]oxybutyl]phenol
CID 102173956
4-[3-(1,3-dioxolan-2-yl)propyl]benzoic acid
CID 23468115
tert-butyl-[3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]propoxy]-diphenylsilane
CID 102246866
(5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,4-dioxan-2-ol
CID 162409626
tert-butyl-(1,4,7,10,13,16-hexaoxacyclooctadec-2-ylmethoxy)-diphenylsilane
CID 102228442
1-[(2R,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,3-dioxolan-4-yl]-2-phenylmethoxyethanol
CID 18649513
tert-butyl-[[(2S)-oxolan-2-yl]methoxy]-diphenylsilane
CID 56616386
(3S)-6-[tert-butyl(diphenyl)silyl]oxy-1-phenylhexan-3-ol
CID 11546522
4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methoxyphenol
CID 11486184
5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methoxyphenol
CID 11269381

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[4-[3-(1,3-dioxolan-2-yl)propyl]phenyl]methoxy]-diphenylsilane?
The IUPAC name of tert-butyl-[[4-[3-(1,3-dioxolan-2-yl)propyl]phenyl]methoxy]-diphenylsilane (CID 19694134) is tert-butyl-[[4-[3-(1,3-dioxolan-2-yl)propyl]phenyl]methoxy]-diphenylsilane.
What is the SMILES notation for tert-butyl-[[4-[3-(1,3-dioxolan-2-yl)propyl]phenyl]methoxy]-diphenylsilane?
The canonical SMILES for tert-butyl-[[4-[3-(1,3-dioxolan-2-yl)propyl]phenyl]methoxy]-diphenylsilane is CC(C)(C)[Si](OCc1ccc(CCCC2OCCO2)cc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of tert-butyl-[[4-[3-(1,3-dioxolan-2-yl)propyl]phenyl]methoxy]-diphenylsilane?
The InChIKey is ZLQVVEUBBDBXRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36O3Si/c1-29(2,3)33(26-12-6-4-7-13-26,27-14-8-5-9-15-27)32-23-25-19-17-24(18-20-25)11-10-16-28-30-21-22-31-28/h4-9,12-15,17-20,28H,10-11,16,21-23H2,1-3H3.
What are the key properties of tert-butyl-[[4-[3-(1,3-dioxolan-2-yl)propyl]phenyl]methoxy]-diphenylsilane?
tert-butyl-[[4-[3-(1,3-dioxolan-2-yl)propyl]phenyl]methoxy]-diphenylsilane has a molecular weight of 460.69 g/mol, XLogP of 5.46, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[4-[3-(1,3-dioxolan-2-yl)propyl]phenyl]methoxy]-diphenylsilane is sourced from PubChem (CID 19694134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).