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

C22H46O2Si2 — CID 10938190

IUPACtri(propan-2-yl)-[4-tri(propan-2-yl)silyloxybut-2-ynoxy]silane
SMILESCC(C)[Si](OCC#CCO[Si](C(C)C)(C(C)C)C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C22H46O2Si2/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/h17-22H,15-16H2,1-12H3
InChIKeyMGZAHSVKECQOMA-UHFFFAOYSA-N
MW398.78 g/mol
LogP7.37
Rot. Bonds10

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

tri(propan-2-yl)-[4-tri(propan-2-yl)silyloxybut-2-ynoxy]silane (PubChem CID 10938190) has the molecular formula C22H46O2Si2 and a molecular weight of 398.78 g/mol. Its IUPAC name is tri(propan-2-yl)-[4-tri(propan-2-yl)silyloxybut-2-ynoxy]silane.

Molecular Properties

Compound Nametri(propan-2-yl)-[4-tri(propan-2-yl)silyloxybut-2-ynoxy]silane
PubChem CID10938190
Molecular FormulaC22H46O2Si2
Molecular Weight398.78 g/mol
Exact Mass398.30
IUPAC Nametri(propan-2-yl)-[4-tri(propan-2-yl)silyloxybut-2-ynoxy]silane
SMILESCC(C)[Si](OCC#CCO[Si](C(C)C)(C(C)C)C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C22H46O2Si2/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/h17-22H,15-16H2,1-12H3
InChIKeyMGZAHSVKECQOMA-UHFFFAOYSA-N
XLogP7.37
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.78
LogP ≤ 57.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,8,13-Trioxa-4,7,9,12-tetrasilapentadecane, 4,12-diethoxy-4,7,7,9,9,12-hexamethyl-
CID 73555343
Triethyl((4-(triethylsilyl)-3-butyn-1-yl)oxy)silane
CID 10935420
Silane, trimethyl[3-[(trimethylsilyl)oxy]-1-propynyl]-
CID 359338
2,2,7,7,9,9,14,14-Octamethyl-3,8,13-trioxa-2,7,9,14-tetrasilapentadecane
CID 87702
3,8-Dioxa-2,9-disiladec-5-yne, 2,2,9,9-tetramethyl-
CID 589995
3,10-Dioxa-4,9-disiladodecane, 4,4,9,9-tetraethoxy-
CID 11143452
Trimethyl[4-[(trimethylsilyl)oxy]-1-butynyl]silane
CID 11745995
Ethoxy-dimethyl-(3-trimethylsilyloxypropyl)silane
CID 12469820
Silane, [3-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-1-propynyl]trimethyl-
CID 10988471
But-2-ynoxy-dimethylsilyloxy-dimethylsilane
CID 101238938
Tert-butyl-dimethyl-[7-tri(propan-2-yl)silylhepta-2,4,6-triynoxy]silane
CID 134970998
4,9-Dioxa-3,10-disiladodec-6-yne, 2,2,3,3,10,10,11,11-octamethyl-
CID 10757684

Frequently Asked Questions

What is the IUPAC name of tri(propan-2-yl)-[4-tri(propan-2-yl)silyloxybut-2-ynoxy]silane?
The IUPAC name of tri(propan-2-yl)-[4-tri(propan-2-yl)silyloxybut-2-ynoxy]silane (CID 10938190) is tri(propan-2-yl)-[4-tri(propan-2-yl)silyloxybut-2-ynoxy]silane.
What is the SMILES notation for tri(propan-2-yl)-[4-tri(propan-2-yl)silyloxybut-2-ynoxy]silane?
The canonical SMILES for tri(propan-2-yl)-[4-tri(propan-2-yl)silyloxybut-2-ynoxy]silane is CC(C)[Si](OCC#CCO[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)-[4-tri(propan-2-yl)silyloxybut-2-ynoxy]silane?
The InChIKey is MGZAHSVKECQOMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H46O2Si2/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/h17-22H,15-16H2,1-12H3.
What are the key properties of tri(propan-2-yl)-[4-tri(propan-2-yl)silyloxybut-2-ynoxy]silane?
tri(propan-2-yl)-[4-tri(propan-2-yl)silyloxybut-2-ynoxy]silane has a molecular weight of 398.78 g/mol, XLogP of 7.37, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tri(propan-2-yl)-[4-tri(propan-2-yl)silyloxybut-2-ynoxy]silane is sourced from PubChem (CID 10938190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).