[2,9-dimethyl-9-tri(propan-2-yl)silyloxydeca-3,5,7-triyn-2-yl]oxy-tri(propan-2-yl)silane

C30H54O2Si2 — CID 101034705

IUPAC[2,9-dimethyl-9-tri(propan-2-yl)silyloxydeca-3,5,7-triyn-2-yl]oxy-tri(propan-2-yl)silane
SMILESCC(C)[Si](OC(C)(C)C#CC#CC#CC(C)(C)O[Si](C(C)C)(C(C)C)C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C30H54O2Si2/c1-23(2)33(24(3)4,25(5)6)31-29(13,14)21-19-17-18-20-22-30(15,16)32-34(26(7)8,27(9)10)28(11)12/h23-28H,1-16H3
InChIKeyRKPDETWYMHYPPD-UHFFFAOYSA-N
MW502.93 g/mol
LogP8.94
Rot. Bonds10

About [2,9-dimethyl-9-tri(propan-2-yl)silyloxydeca-3,5,7-triyn-2-yl]oxy-tri(propan-2-yl)silane

[2,9-dimethyl-9-tri(propan-2-yl)silyloxydeca-3,5,7-triyn-2-yl]oxy-tri(propan-2-yl)silane (PubChem CID 101034705) has the molecular formula C30H54O2Si2 and a molecular weight of 502.93 g/mol. Its IUPAC name is [2,9-dimethyl-9-tri(propan-2-yl)silyloxydeca-3,5,7-triyn-2-yl]oxy-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[2,9-dimethyl-9-tri(propan-2-yl)silyloxydeca-3,5,7-triyn-2-yl]oxy-tri(propan-2-yl)silane
PubChem CID101034705
Molecular FormulaC30H54O2Si2
Molecular Weight502.93 g/mol
Exact Mass502.37
IUPAC Name[2,9-dimethyl-9-tri(propan-2-yl)silyloxydeca-3,5,7-triyn-2-yl]oxy-tri(propan-2-yl)silane
SMILESCC(C)[Si](OC(C)(C)C#CC#CC#CC(C)(C)O[Si](C(C)C)(C(C)C)C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C30H54O2Si2/c1-23(2)33(24(3)4,25(5)6)31-29(13,14)21-19-17-18-20-22-30(15,16)32-34(26(7)8,27(9)10)28(11)12/h23-28H,1-16H3
InChIKeyRKPDETWYMHYPPD-UHFFFAOYSA-N
XLogP8.94
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.93
LogP ≤ 58.94
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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Launch Full Analysis

Related Compounds

Bis(1,1-dimethyl-2-propynyloxy)dimethylsilane
CID 155887695
2,2,3,3,12,12,13,13-Octamethyl-4,11-dioxa-3,12-disilatetradec-7-yne
CID 13470485
(2,5-Dimethyl-5-trimethylsilyloxyhex-3-yn-2-yl)oxy-trimethylsilane
CID 20071839
Dimethyl-(3-methyl-3-trimethylsilyloxypent-1-ynyl)-trimethylsilyloxysilane
CID 87600760
2,2,4,4,7,7,9,9,11,11,14,14-Dodecamethyl-1,3,8,10-tetraoxa-2,9-disilacyclotetradeca-5,12-diyne
CID 5251012
Tert-butyl-[8-[tert-butyl(dimethyl)silyl]oxyocta-3,5-diynoxy]-dimethylsilane
CID 10248363
Trimethyl-[3-trimethylsilyloxy-3-tri(propan-2-yl)stannylbut-1-ynyl]silane
CID 10939496
Tert-butyl-dimethyl-[3-[2-[2-tri(propan-2-yl)silylethynyl]oxiran-2-yl]prop-2-ynoxy]silane
CID 12027346
Tri(propan-2-yl)-[2-[1,6,11,16-tetramethoxy-6,11,16-tris[2-tri(propan-2-yl)silylethynyl]cycloicosa-2,4,7,9,12,14,17,19-octayn-1-yl]ethynyl]silane
CID 12036890
Trimethyl-[2-methyl-5-trimethylsilyloxy-5-tri(propan-2-yl)stannylhex-3-yn-2-yl]oxysilane
CID 15271676
(3,6-Diethynyl-3,6-dimethoxy-8-triethylsilylocta-1,4,7-triynyl)-triethylsilane
CID 102086370
[(3R)-3,8-diethynyl-3,8-dimethoxy-10-tri(propan-2-yl)silyldeca-1,4,6,9-tetraynyl]-tri(propan-2-yl)silane
CID 134885025

Frequently Asked Questions

What is the IUPAC name of [2,9-dimethyl-9-tri(propan-2-yl)silyloxydeca-3,5,7-triyn-2-yl]oxy-tri(propan-2-yl)silane?
The IUPAC name of [2,9-dimethyl-9-tri(propan-2-yl)silyloxydeca-3,5,7-triyn-2-yl]oxy-tri(propan-2-yl)silane (CID 101034705) is [2,9-dimethyl-9-tri(propan-2-yl)silyloxydeca-3,5,7-triyn-2-yl]oxy-tri(propan-2-yl)silane.
What is the SMILES notation for [2,9-dimethyl-9-tri(propan-2-yl)silyloxydeca-3,5,7-triyn-2-yl]oxy-tri(propan-2-yl)silane?
The canonical SMILES for [2,9-dimethyl-9-tri(propan-2-yl)silyloxydeca-3,5,7-triyn-2-yl]oxy-tri(propan-2-yl)silane is CC(C)[Si](OC(C)(C)C#CC#CC#CC(C)(C)O[Si](C(C)C)(C(C)C)C(C)C)(C(C)C)C(C)C.
What is the InChIKey of [2,9-dimethyl-9-tri(propan-2-yl)silyloxydeca-3,5,7-triyn-2-yl]oxy-tri(propan-2-yl)silane?
The InChIKey is RKPDETWYMHYPPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H54O2Si2/c1-23(2)33(24(3)4,25(5)6)31-29(13,14)21-19-17-18-20-22-30(15,16)32-34(26(7)8,27(9)10)28(11)12/h23-28H,1-16H3.
What are the key properties of [2,9-dimethyl-9-tri(propan-2-yl)silyloxydeca-3,5,7-triyn-2-yl]oxy-tri(propan-2-yl)silane?
[2,9-dimethyl-9-tri(propan-2-yl)silyloxydeca-3,5,7-triyn-2-yl]oxy-tri(propan-2-yl)silane has a molecular weight of 502.93 g/mol, XLogP of 8.94, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2,9-dimethyl-9-tri(propan-2-yl)silyloxydeca-3,5,7-triyn-2-yl]oxy-tri(propan-2-yl)silane is sourced from PubChem (CID 101034705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).