tert-butyl-[4-(1,4-dioxaspiro[4.5]decan-3-yl)butoxy]-diphenylsilane

C28H40O3Si — CID 102251326

IUPACtert-butyl-[4-(1,4-dioxaspiro[4.5]decan-3-yl)butoxy]-diphenylsilane
SMILESCC(C)(C)[Si](OCCCCC1COC2(CCCCC2)O1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H40O3Si/c1-27(2,3)32(25-16-7-4-8-17-25,26-18-9-5-10-19-26)30-22-14-11-15-24-23-29-28(31-24)20-12-6-13-21-28/h4-5,7-10,16-19,24H,6,11-15,20-23H2,1-3H3
InChIKeyQQOMHURRXDNYDK-UHFFFAOYSA-N
MW452.71 g/mol
LogP5.81
Rot. Bonds8

About tert-butyl-[4-(1,4-dioxaspiro[4.5]decan-3-yl)butoxy]-diphenylsilane

tert-butyl-[4-(1,4-dioxaspiro[4.5]decan-3-yl)butoxy]-diphenylsilane (PubChem CID 102251326) has the molecular formula C28H40O3Si and a molecular weight of 452.71 g/mol. Its IUPAC name is tert-butyl-[4-(1,4-dioxaspiro[4.5]decan-3-yl)butoxy]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[4-(1,4-dioxaspiro[4.5]decan-3-yl)butoxy]-diphenylsilane
PubChem CID102251326
Molecular FormulaC28H40O3Si
Molecular Weight452.71 g/mol
Exact Mass452.27
IUPAC Nametert-butyl-[4-(1,4-dioxaspiro[4.5]decan-3-yl)butoxy]-diphenylsilane
SMILESCC(C)(C)[Si](OCCCCC1COC2(CCCCC2)O1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H40O3Si/c1-27(2,3)32(25-16-7-4-8-17-25,26-18-9-5-10-19-26)30-22-14-11-15-24-23-29-28(31-24)20-12-6-13-21-28/h4-5,7-10,16-19,24H,6,11-15,20-23H2,1-3H3
InChIKeyQQOMHURRXDNYDK-UHFFFAOYSA-N
XLogP5.81
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.71
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-[2-[(4S)-1,5-dioxaspiro[5.5]undecan-4-yl]-2-methylpropoxy]-diphenylsilane
CID 57041576
tert-butyl-[(1R)-1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]tridecoxy]-diphenylsilane
CID 102211926
tert-butyl-[(1R)-1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]but-3-enoxy]-diphenylsilane
CID 11597593
tert-butyl-[9-(2,2-dimethyl-1,3-dioxolan-4-yl)nonoxy]-dimethylsilane
CID 11360349
(4S)-4-[tert-butyl(diphenyl)silyl]oxy-4-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]butanal
CID 53248433
[(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-[(Z)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-methylpent-4-enoxy]-diphenylsilane
CID 23242491
(5S)-5-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde
CID 58750450
tert-butyl-[2-[(4S,6S)-6-ethynyl-2,2-dimethyl-1,3-dioxan-4-yl]ethoxy]-diphenylsilane
CID 10949899
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
tert-butyl-(10-iododecoxy)-diphenylsilane
CID 10994946
12-[tert-butyl(diphenyl)silyl]oxydodecan-1-ol
CID 11015684

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[4-(1,4-dioxaspiro[4.5]decan-3-yl)butoxy]-diphenylsilane?
The IUPAC name of tert-butyl-[4-(1,4-dioxaspiro[4.5]decan-3-yl)butoxy]-diphenylsilane (CID 102251326) is tert-butyl-[4-(1,4-dioxaspiro[4.5]decan-3-yl)butoxy]-diphenylsilane.
What is the SMILES notation for tert-butyl-[4-(1,4-dioxaspiro[4.5]decan-3-yl)butoxy]-diphenylsilane?
The canonical SMILES for tert-butyl-[4-(1,4-dioxaspiro[4.5]decan-3-yl)butoxy]-diphenylsilane is CC(C)(C)[Si](OCCCCC1COC2(CCCCC2)O1)(c1ccccc1)c1ccccc1.
What is the InChIKey of tert-butyl-[4-(1,4-dioxaspiro[4.5]decan-3-yl)butoxy]-diphenylsilane?
The InChIKey is QQOMHURRXDNYDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H40O3Si/c1-27(2,3)32(25-16-7-4-8-17-25,26-18-9-5-10-19-26)30-22-14-11-15-24-23-29-28(31-24)20-12-6-13-21-28/h4-5,7-10,16-19,24H,6,11-15,20-23H2,1-3H3.
What are the key properties of tert-butyl-[4-(1,4-dioxaspiro[4.5]decan-3-yl)butoxy]-diphenylsilane?
tert-butyl-[4-(1,4-dioxaspiro[4.5]decan-3-yl)butoxy]-diphenylsilane has a molecular weight of 452.71 g/mol, XLogP of 5.81, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[4-(1,4-dioxaspiro[4.5]decan-3-yl)butoxy]-diphenylsilane is sourced from PubChem (CID 102251326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).