tri(propan-2-yl)-[(Z)-4-tri(propan-2-yl)silyloxybut-2-enoxy]silane

C22H48O2Si2 — CID 132569252

IUPACtri(propan-2-yl)-[(Z)-4-tri(propan-2-yl)silyloxybut-2-enoxy]silane
SMILESCC(C)[Si](OC/C=C\CO[Si](C(C)C)(C(C)C)C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C22H48O2Si2/c1-17(2)25(18(3)4,19(5)6)23-15-13-14-16-24-26(20(7)8,21(9)10)22(11)12/h13-14,17-22H,15-16H2,1-12H3/b14-13-
InChIKeyQTPATJJQDTZZLE-YPKPFQOOSA-N
MW400.80 g/mol
LogP7.93
Rot. Bonds12

About tri(propan-2-yl)-[(Z)-4-tri(propan-2-yl)silyloxybut-2-enoxy]silane

tri(propan-2-yl)-[(Z)-4-tri(propan-2-yl)silyloxybut-2-enoxy]silane (PubChem CID 132569252) has the molecular formula C22H48O2Si2 and a molecular weight of 400.80 g/mol. Its IUPAC name is tri(propan-2-yl)-[(Z)-4-tri(propan-2-yl)silyloxybut-2-enoxy]silane.

Molecular Properties

Compound Nametri(propan-2-yl)-[(Z)-4-tri(propan-2-yl)silyloxybut-2-enoxy]silane
PubChem CID132569252
Molecular FormulaC22H48O2Si2
Molecular Weight400.80 g/mol
Exact Mass400.32
IUPAC Nametri(propan-2-yl)-[(Z)-4-tri(propan-2-yl)silyloxybut-2-enoxy]silane
SMILESCC(C)[Si](OC/C=C\CO[Si](C(C)C)(C(C)C)C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C22H48O2Si2/c1-17(2)25(18(3)4,19(5)6)23-15-13-14-16-24-26(20(7)8,21(9)10)22(11)12/h13-14,17-22H,15-16H2,1-12H3/b14-13-
InChIKeyQTPATJJQDTZZLE-YPKPFQOOSA-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': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3,8-Dioxa-2,9-disiladec-5-ene, 2,2,9,9-tetramethyl-, (E)-
CID 5366600
trans-Crotyl alcohol, tert-butyldimethylsilyl ether
CID 11217677
3,10-Dioxa-2,11-disiladodeca-5,7-diene, 2,2,11,11-tetramethyl-
CID 5366452
(5Z)-2,2,9,9-Tetramethyl-3,8-dioxa-2,9-disiladec-5-ene
CID 5372908
2-Butene-1,4-diol, 2TBDMS derivative
CID 11141643
(5E)-5-ethylidene-2,2,4,4-tetramethyl-1,3,2,4-dioxadisilinane
CID 11241122
1,6-Bis(trimethylsilyloxy)-2,4-hexadiene
CID 552473
(Z)-2,2,3,3,10,10,11,11-octamethyl-4,9-dioxa-3,10-disiladodec-6-ene
CID 11023522
2,2-Diisopropyl-4,7-dihydro-1,3,2-dioxasilepine
CID 12793734
tert-butyl-[(2E,4E)-6-[tert-butyl(dimethyl)silyl]oxyhexa-2,4-dienoxy]-dimethylsilane
CID 13634985
Diethyldiprop-2-enyloxysilane
CID 18764163
3-Methyl-1-tributylsilyloxybut-2-ene
CID 531333

Frequently Asked Questions

What is the IUPAC name of tri(propan-2-yl)-[(Z)-4-tri(propan-2-yl)silyloxybut-2-enoxy]silane?
The IUPAC name of tri(propan-2-yl)-[(Z)-4-tri(propan-2-yl)silyloxybut-2-enoxy]silane (CID 132569252) is tri(propan-2-yl)-[(Z)-4-tri(propan-2-yl)silyloxybut-2-enoxy]silane.
What is the SMILES notation for tri(propan-2-yl)-[(Z)-4-tri(propan-2-yl)silyloxybut-2-enoxy]silane?
The canonical SMILES for tri(propan-2-yl)-[(Z)-4-tri(propan-2-yl)silyloxybut-2-enoxy]silane is CC(C)[Si](OC/C=C\CO[Si](C(C)C)(C(C)C)C(C)C)(C(C)C)C(C)C.
What is the InChIKey of tri(propan-2-yl)-[(Z)-4-tri(propan-2-yl)silyloxybut-2-enoxy]silane?
The InChIKey is QTPATJJQDTZZLE-YPKPFQOOSA-N. The full InChI is InChI=1S/C22H48O2Si2/c1-17(2)25(18(3)4,19(5)6)23-15-13-14-16-24-26(20(7)8,21(9)10)22(11)12/h13-14,17-22H,15-16H2,1-12H3/b14-13-.
What are the key properties of tri(propan-2-yl)-[(Z)-4-tri(propan-2-yl)silyloxybut-2-enoxy]silane?
tri(propan-2-yl)-[(Z)-4-tri(propan-2-yl)silyloxybut-2-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 tri(propan-2-yl)-[(Z)-4-tri(propan-2-yl)silyloxybut-2-enoxy]silane is sourced from PubChem (CID 132569252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).