tert-butyl-[10-(oxan-2-yloxy)dec-3-enoxy]-diphenylsilane

C31H46O3Si — CID 91332140

IUPACtert-butyl-[10-(oxan-2-yloxy)dec-3-enoxy]-diphenylsilane
SMILESCC(C)(C)[Si](OCCC=CCCCCCCOC1CCCCO1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C31H46O3Si/c1-31(2,3)35(28-20-12-10-13-21-28,29-22-14-11-15-23-29)34-27-18-9-7-5-4-6-8-17-25-32-30-24-16-19-26-33-30/h7,9-15,20-23,30H,4-6,8,16-19,24-27H2,1-3H3
InChIKeyFVUBHSDQMOYANA-UHFFFAOYSA-N
MW494.79 g/mol
LogP7.00
Rot. Bonds14

About tert-butyl-[10-(oxan-2-yloxy)dec-3-enoxy]-diphenylsilane

tert-butyl-[10-(oxan-2-yloxy)dec-3-enoxy]-diphenylsilane (PubChem CID 91332140) has the molecular formula C31H46O3Si and a molecular weight of 494.79 g/mol. Its IUPAC name is tert-butyl-[10-(oxan-2-yloxy)dec-3-enoxy]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[10-(oxan-2-yloxy)dec-3-enoxy]-diphenylsilane
PubChem CID91332140
Molecular FormulaC31H46O3Si
Molecular Weight494.79 g/mol
Exact Mass494.32
IUPAC Nametert-butyl-[10-(oxan-2-yloxy)dec-3-enoxy]-diphenylsilane
SMILESCC(C)(C)[Si](OCCC=CCCCCCCOC1CCCCO1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C31H46O3Si/c1-31(2,3)35(28-20-12-10-13-21-28,29-22-14-11-15-23-29)34-27-18-9-7-5-4-6-8-17-25-32-30-24-16-19-26-33-30/h7,9-15,20-23,30H,4-6,8,16-19,24-27H2,1-3H3
InChIKeyFVUBHSDQMOYANA-UHFFFAOYSA-N
XLogP7.00
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.79
LogP ≤ 57.00
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

tert-butyl-[[(2S,5R,6S)-5-methoxy-1,7-dioxaspiro[5.5]undecan-2-yl]methoxy]-diphenylsilane
CID 11134205
1-(t-BUTYLDIPHENYLSILYLOXY)-6-FLUORO-7-(2-TETRAHYDROPYRANYLOXY)-5-HEPTENE
CID 53929479
Fluoro-[4-[3-(oxan-2-yloxy)propyl]phenyl]-di(propan-2-yl)silane
CID 57568259
Fluoro-[3-[3-(oxan-2-yloxy)propyl]phenyl]-di(propan-2-yl)silane
CID 57568294
tert-butyl-diphenyl-[(2R)-10,10,10-trifluoro-1-(oxan-2-yloxy)dec-4-en-2-yl]oxysilane
CID 67913893
tert-butyl-[(2S,3S,4S,6S)-3-fluoro-2-(iodomethyl)-6-methoxyoxan-4-yl]oxy-diphenylsilane
CID 70364149
tert-butyl-[(E)-6-fluoro-7-(oxan-2-yloxy)hept-5-enoxy]-diphenylsilane
CID 139774217
Tert-butyl-[2,2-difluoro-4-(oxan-2-yloxy)butoxy]-diphenylsilane
CID 142591929
tert-butyl-[(E)-4-(oxan-2-yloxy)-2-(2,2,2-trifluoroethyl)but-2-enoxy]-diphenylsilane
CID 171813177
tert-butyl-[[(1R)-2,2-difluoro-1-(oxan-2-yloxymethyl)cyclopropyl]methoxy]-diphenylsilane
CID 172679891
[2,2-Difluoro-4-(oxan-2-yloxy)butoxy]-diphenylsilane
CID 175061850
tert-butyl-[2,2-difluoro-4-[(2R)-oxan-2-yl]oxybutoxy]-diphenylsilane
CID 175967985

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[10-(oxan-2-yloxy)dec-3-enoxy]-diphenylsilane?
The IUPAC name of tert-butyl-[10-(oxan-2-yloxy)dec-3-enoxy]-diphenylsilane (CID 91332140) is tert-butyl-[10-(oxan-2-yloxy)dec-3-enoxy]-diphenylsilane.
What is the SMILES notation for tert-butyl-[10-(oxan-2-yloxy)dec-3-enoxy]-diphenylsilane?
The canonical SMILES for tert-butyl-[10-(oxan-2-yloxy)dec-3-enoxy]-diphenylsilane is CC(C)(C)[Si](OCCC=CCCCCCCOC1CCCCO1)(c1ccccc1)c1ccccc1.
What is the InChIKey of tert-butyl-[10-(oxan-2-yloxy)dec-3-enoxy]-diphenylsilane?
The InChIKey is FVUBHSDQMOYANA-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H46O3Si/c1-31(2,3)35(28-20-12-10-13-21-28,29-22-14-11-15-23-29)34-27-18-9-7-5-4-6-8-17-25-32-30-24-16-19-26-33-30/h7,9-15,20-23,30H,4-6,8,16-19,24-27H2,1-3H3.
What are the key properties of tert-butyl-[10-(oxan-2-yloxy)dec-3-enoxy]-diphenylsilane?
tert-butyl-[10-(oxan-2-yloxy)dec-3-enoxy]-diphenylsilane has a molecular weight of 494.79 g/mol, XLogP of 7.00, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[10-(oxan-2-yloxy)dec-3-enoxy]-diphenylsilane is sourced from PubChem (CID 91332140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).