tert-butyl-[2-[(4S)-1,5-dioxaspiro[5.5]undecan-4-yl]-2-methylpropoxy]-diphenylsilane

C29H42O3Si — CID 57041576

IUPACtert-butyl-[2-[(4S)-1,5-dioxaspiro[5.5]undecan-4-yl]-2-methylpropoxy]-diphenylsilane
SMILESCC(C)(CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@@H]1CCOC2(CCCCC2)O1
InChIInChI=1S/C29H42O3Si/c1-27(2,3)33(24-15-9-6-10-16-24,25-17-11-7-12-18-25)31-23-28(4,5)26-19-22-30-29(32-26)20-13-8-14-21-29/h6-7,9-12,15-18,26H,8,13-14,19-23H2,1-5H3/t26-/m0/s1
InChIKeyOHASOTNFLZXAAW-SANMLTNESA-N
MW466.74 g/mol
LogP6.06
Rot. Bonds6

About tert-butyl-[2-[(4S)-1,5-dioxaspiro[5.5]undecan-4-yl]-2-methylpropoxy]-diphenylsilane

tert-butyl-[2-[(4S)-1,5-dioxaspiro[5.5]undecan-4-yl]-2-methylpropoxy]-diphenylsilane (PubChem CID 57041576) has the molecular formula C29H42O3Si and a molecular weight of 466.74 g/mol. Its IUPAC name is tert-butyl-[2-[(4S)-1,5-dioxaspiro[5.5]undecan-4-yl]-2-methylpropoxy]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[2-[(4S)-1,5-dioxaspiro[5.5]undecan-4-yl]-2-methylpropoxy]-diphenylsilane
PubChem CID57041576
Molecular FormulaC29H42O3Si
Molecular Weight466.74 g/mol
Exact Mass466.29
IUPAC Nametert-butyl-[2-[(4S)-1,5-dioxaspiro[5.5]undecan-4-yl]-2-methylpropoxy]-diphenylsilane
SMILESCC(C)(CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@@H]1CCOC2(CCCCC2)O1
InChIInChI=1S/C29H42O3Si/c1-27(2,3)33(24-15-9-6-10-16-24,25-17-11-7-12-18-25)31-23-28(4,5)26-19-22-30-29(32-26)20-13-8-14-21-29/h6-7,9-12,15-18,26H,8,13-14,19-23H2,1-5H3/t26-/m0/s1
InChIKeyOHASOTNFLZXAAW-SANMLTNESA-N
XLogP6.06
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.74
LogP ≤ 56.06
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-[4-(1,4-dioxaspiro[4.5]decan-3-yl)butoxy]-diphenylsilane
CID 102251326
tert-butyl-[(1R)-1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]but-3-enoxy]-diphenylsilane
CID 11597593
(4S)-4-[tert-butyl(diphenyl)silyl]oxy-4-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]butanal
CID 53248433
tert-butyl-[(1R)-1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]tridecoxy]-diphenylsilane
CID 102211926
[(4aR,8R,8aR)-spiro[4,4a,8,8a-tetrahydropyrano[3,2-d][1,3]dioxine-2,1'-cyclohexane]-8-yl]oxy-tert-butyl-diphenylsilane
CID 99738182
tert-butyl-[[(8S)-7,7-dimethyl-1,4-dioxaspiro[4.5]decan-8-yl]oxy]-diphenylsilane
CID 146029391
tert-butyl-[[(2S)-oxolan-2-yl]methoxy]-diphenylsilane
CID 56616386
(3aS,4R,7S,7aR)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-ol
CID 101470803
1-[(1S,2S,7S,9S,12R)-7-[[tert-butyl(diphenyl)silyl]oxymethyl]spiro[3,5,8,13-tetraoxatricyclo[7.4.0.02,6]tridecane-4,1'-cyclohexane]-12-yl]propan-2-one
CID 157271692
[(2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methyloxolan-2-yl]methanol
CID 16736190
(7R)-7-[tert-butyl(diphenyl)silyl]oxy-1,4-dioxaspiro[4.5]decan-8-one
CID 67092775
tert-butyl-[[(2S)-2-methyloxiran-2-yl]methoxy]-diphenylsilane
CID 11290341

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[2-[(4S)-1,5-dioxaspiro[5.5]undecan-4-yl]-2-methylpropoxy]-diphenylsilane?
The IUPAC name of tert-butyl-[2-[(4S)-1,5-dioxaspiro[5.5]undecan-4-yl]-2-methylpropoxy]-diphenylsilane (CID 57041576) is tert-butyl-[2-[(4S)-1,5-dioxaspiro[5.5]undecan-4-yl]-2-methylpropoxy]-diphenylsilane.
What is the SMILES notation for tert-butyl-[2-[(4S)-1,5-dioxaspiro[5.5]undecan-4-yl]-2-methylpropoxy]-diphenylsilane?
The canonical SMILES for tert-butyl-[2-[(4S)-1,5-dioxaspiro[5.5]undecan-4-yl]-2-methylpropoxy]-diphenylsilane is CC(C)(CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@@H]1CCOC2(CCCCC2)O1.
What is the InChIKey of tert-butyl-[2-[(4S)-1,5-dioxaspiro[5.5]undecan-4-yl]-2-methylpropoxy]-diphenylsilane?
The InChIKey is OHASOTNFLZXAAW-SANMLTNESA-N. The full InChI is InChI=1S/C29H42O3Si/c1-27(2,3)33(24-15-9-6-10-16-24,25-17-11-7-12-18-25)31-23-28(4,5)26-19-22-30-29(32-26)20-13-8-14-21-29/h6-7,9-12,15-18,26H,8,13-14,19-23H2,1-5H3/t26-/m0/s1.
What are the key properties of tert-butyl-[2-[(4S)-1,5-dioxaspiro[5.5]undecan-4-yl]-2-methylpropoxy]-diphenylsilane?
tert-butyl-[2-[(4S)-1,5-dioxaspiro[5.5]undecan-4-yl]-2-methylpropoxy]-diphenylsilane has a molecular weight of 466.74 g/mol, XLogP of 6.06, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[2-[(4S)-1,5-dioxaspiro[5.5]undecan-4-yl]-2-methylpropoxy]-diphenylsilane is sourced from PubChem (CID 57041576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).