tert-butyl-dimethyl-[(5S)-5-tri(propan-2-yl)silyloxyhept-6-enoxy]silane

C22H48O2Si2 — CID 139252213

IUPACtert-butyl-dimethyl-[(5S)-5-tri(propan-2-yl)silyloxyhept-6-enoxy]silane
SMILESC=C[C@H](CCCCO[Si](C)(C)C(C)(C)C)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C22H48O2Si2/c1-13-21(24-26(18(2)3,19(4)5)20(6)7)16-14-15-17-23-25(11,12)22(8,9)10/h13,18-21H,1,14-17H2,2-12H3/t21-/m1/s1
InChIKeyINILDTXILYKEPQ-OAQYLSRUSA-N
MW400.80 g/mol
LogP7.93
Rot. Bonds12

About tert-butyl-dimethyl-[(5S)-5-tri(propan-2-yl)silyloxyhept-6-enoxy]silane

tert-butyl-dimethyl-[(5S)-5-tri(propan-2-yl)silyloxyhept-6-enoxy]silane (PubChem CID 139252213) has the molecular formula C22H48O2Si2 and a molecular weight of 400.80 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(5S)-5-tri(propan-2-yl)silyloxyhept-6-enoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(5S)-5-tri(propan-2-yl)silyloxyhept-6-enoxy]silane
PubChem CID139252213
Molecular FormulaC22H48O2Si2
Molecular Weight400.80 g/mol
Exact Mass400.32
IUPAC Nametert-butyl-dimethyl-[(5S)-5-tri(propan-2-yl)silyloxyhept-6-enoxy]silane
SMILESC=C[C@H](CCCCO[Si](C)(C)C(C)(C)C)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C22H48O2Si2/c1-13-21(24-26(18(2)3,19(4)5)20(6)7)16-14-15-17-23-25(11,12)22(8,9)10/h13,18-21H,1,14-17H2,2-12H3/t21-/m1/s1
InChIKeyINILDTXILYKEPQ-OAQYLSRUSA-N
XLogP7.93
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.80
LogP ≤ 57.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

Silane, (1,1-dimethylethyl)[(1-ethenylhexyl)oxy]dimethyl-
CID 9986037
tert-butyl-[(3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-enoxy]-dimethylsilane
CID 135034833
1,3-bis[(1-Ethenylhexyl)oxy]-1,1,3,3-tetramethyldisiloxane
CID 91720811
bis[(1-Ethenylhexyl)oxy](dimethyl)silane
CID 91737719
trans-3-tert-Butyldimethylsilyloxy-1-tributylstannyl-1-octene
CID 10414672
Tert-butyl-dimethyl-(1-tributylstannyloct-1-en-3-yloxy)silane
CID 72836218
(E,3S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-7-tributylstannyl-5-tri(propan-2-yl)silyloxyhept-6-en-1-ol
CID 11468178
tert-butyl-[(4R,5R)-5-[tert-butyl(dimethyl)silyl]oxyocta-1,7-dien-4-yl]oxy-dimethylsilane
CID 15416504
(5S)-5-tri(propan-2-yl)silyloxyhept-6-en-1-ol
CID 46850138
Tert-butyl-[2-[tert-butyl(dimethyl)silyl]oxy-1-ethenylheptoxy]-dimethylsilane
CID 101937867
tert-butyl-[(3R)-3-[tert-butyl(dimethyl)silyl]oxypent-4-enoxy]-dimethylsilane
CID 134839850
tert-butyl-[(3S)-3-[tert-butyl(dimethyl)silyl]oxyhex-5-enoxy]-dimethylsilane
CID 134940445

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(5S)-5-tri(propan-2-yl)silyloxyhept-6-enoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[(5S)-5-tri(propan-2-yl)silyloxyhept-6-enoxy]silane (CID 139252213) is tert-butyl-dimethyl-[(5S)-5-tri(propan-2-yl)silyloxyhept-6-enoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[(5S)-5-tri(propan-2-yl)silyloxyhept-6-enoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[(5S)-5-tri(propan-2-yl)silyloxyhept-6-enoxy]silane is C=C[C@H](CCCCO[Si](C)(C)C(C)(C)C)O[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of tert-butyl-dimethyl-[(5S)-5-tri(propan-2-yl)silyloxyhept-6-enoxy]silane?
The InChIKey is INILDTXILYKEPQ-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H48O2Si2/c1-13-21(24-26(18(2)3,19(4)5)20(6)7)16-14-15-17-23-25(11,12)22(8,9)10/h13,18-21H,1,14-17H2,2-12H3/t21-/m1/s1.
What are the key properties of tert-butyl-dimethyl-[(5S)-5-tri(propan-2-yl)silyloxyhept-6-enoxy]silane?
tert-butyl-dimethyl-[(5S)-5-tri(propan-2-yl)silyloxyhept-6-enoxy]silane has a molecular weight of 400.80 g/mol, XLogP of 7.93, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(5S)-5-tri(propan-2-yl)silyloxyhept-6-enoxy]silane is sourced from PubChem (CID 139252213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).