tri(propan-2-yl)-[11-tri(propan-2-yl)silyloxyundeca-1,6-diynoxy]silane

C29H56O2Si2 — CID 134977532

IUPACtri(propan-2-yl)-[11-tri(propan-2-yl)silyloxyundeca-1,6-diynoxy]silane
SMILESCC(C)[Si](OC#CCCCC#CCCCCO[Si](C(C)C)(C(C)C)C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C29H56O2Si2/c1-24(2)32(25(3)4,26(5)6)30-22-20-18-16-14-13-15-17-19-21-23-31-33(27(7)8,28(9)10)29(11)12/h24-29H,14,16-19,21,23H2,1-12H3
InChIKeyIQEIHZBVALKTBG-UHFFFAOYSA-N
MW492.94 g/mol
LogP9.68
Rot. Bonds14

About tri(propan-2-yl)-[11-tri(propan-2-yl)silyloxyundeca-1,6-diynoxy]silane

tri(propan-2-yl)-[11-tri(propan-2-yl)silyloxyundeca-1,6-diynoxy]silane (PubChem CID 134977532) has the molecular formula C29H56O2Si2 and a molecular weight of 492.94 g/mol. Its IUPAC name is tri(propan-2-yl)-[11-tri(propan-2-yl)silyloxyundeca-1,6-diynoxy]silane.

Molecular Properties

Compound Nametri(propan-2-yl)-[11-tri(propan-2-yl)silyloxyundeca-1,6-diynoxy]silane
PubChem CID134977532
Molecular FormulaC29H56O2Si2
Molecular Weight492.94 g/mol
Exact Mass492.38
IUPAC Nametri(propan-2-yl)-[11-tri(propan-2-yl)silyloxyundeca-1,6-diynoxy]silane
SMILESCC(C)[Si](OC#CCCCC#CCCCCO[Si](C(C)C)(C(C)C)C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C29H56O2Si2/c1-24(2)32(25(3)4,26(5)6)30-22-20-18-16-14-13-15-17-19-21-23-31-33(27(7)8,28(9)10)29(11)12/h24-29H,14,16-19,21,23H2,1-12H3
InChIKeyIQEIHZBVALKTBG-UHFFFAOYSA-N
XLogP9.68
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.94
LogP ≤ 59.68
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': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

Triethyl((4-(triethylsilyl)-3-butyn-1-yl)oxy)silane
CID 10935420
2,2,3,3,11,11,12,12-Octamethyl-4,10-dioxa-3,11-disilatridecane
CID 529127
Trimethyl(6-trimethylsilylhex-5-ynoxy)silane
CID 10243473
Tert-butyl-dimethyl-(6-trimethylsilylhex-5-ynoxy)silane
CID 11129835
2,2,3,3,12,12,13,13-Octamethyl-4,11-dioxa-3,12-disilatetradec-7-yne
CID 13470485
Silane, dimethyl(dimethyl(non-5-yn-3-yloxy)silyloxy)(non-5-yn-3-yloxy)-
CID 91740157
Tert-butyl-[8-[tert-butyl(dimethyl)silyl]oxyocta-3,5-diynoxy]-dimethylsilane
CID 10248363
2,2,3,3,14,14,15,15-Octamethyl-4,13-dioxa-3,14-disilahexadec-8-yne
CID 10883176
Tri(propan-2-yl)-[5-tri(propan-2-yl)silyloxypent-1-ynoxy]silane
CID 10884155
Tri(propan-2-yl)-[4-tri(propan-2-yl)silyloxybut-2-ynoxy]silane
CID 10938190
2,2,3,3,16,16,17,17-Octamethyl-4,15-dioxa-3,16-disilaoctadec-9-yne
CID 71342150
Tri(propan-2-yl)-[4-tri(propan-2-yl)silyloxybut-1-ynoxy]silane
CID 101582880

Frequently Asked Questions

What is the IUPAC name of tri(propan-2-yl)-[11-tri(propan-2-yl)silyloxyundeca-1,6-diynoxy]silane?
The IUPAC name of tri(propan-2-yl)-[11-tri(propan-2-yl)silyloxyundeca-1,6-diynoxy]silane (CID 134977532) is tri(propan-2-yl)-[11-tri(propan-2-yl)silyloxyundeca-1,6-diynoxy]silane.
What is the SMILES notation for tri(propan-2-yl)-[11-tri(propan-2-yl)silyloxyundeca-1,6-diynoxy]silane?
The canonical SMILES for tri(propan-2-yl)-[11-tri(propan-2-yl)silyloxyundeca-1,6-diynoxy]silane is CC(C)[Si](OC#CCCCC#CCCCCO[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)-[11-tri(propan-2-yl)silyloxyundeca-1,6-diynoxy]silane?
The InChIKey is IQEIHZBVALKTBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H56O2Si2/c1-24(2)32(25(3)4,26(5)6)30-22-20-18-16-14-13-15-17-19-21-23-31-33(27(7)8,28(9)10)29(11)12/h24-29H,14,16-19,21,23H2,1-12H3.
What are the key properties of tri(propan-2-yl)-[11-tri(propan-2-yl)silyloxyundeca-1,6-diynoxy]silane?
tri(propan-2-yl)-[11-tri(propan-2-yl)silyloxyundeca-1,6-diynoxy]silane has a molecular weight of 492.94 g/mol, XLogP of 9.68, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tri(propan-2-yl)-[11-tri(propan-2-yl)silyloxyundeca-1,6-diynoxy]silane is sourced from PubChem (CID 134977532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).