tert-butyl-[10-[tert-butyl(dimethyl)silyl]oxycyclododeca-2,8-diyn-1-yl]oxy-dimethylsilane

C24H44O2Si2 — CID 102446289

IUPACtert-butyl-[10-[tert-butyl(dimethyl)silyl]oxycyclododeca-2,8-diyn-1-yl]oxy-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC1C#CCCCCC#CC(O[Si](C)(C)C(C)(C)C)CC1
InChIInChI=1S/C24H44O2Si2/c1-23(2,3)27(7,8)25-21-17-15-13-11-12-14-16-18-22(20-19-21)26-28(9,10)24(4,5)6/h21-22H,11-14,19-20H2,1-10H3
InChIKeyJNNPZXRPWBRUFU-UHFFFAOYSA-N
MW420.79 g/mol
LogP7.13
Rot. Bonds4

About tert-butyl-[10-[tert-butyl(dimethyl)silyl]oxycyclododeca-2,8-diyn-1-yl]oxy-dimethylsilane

tert-butyl-[10-[tert-butyl(dimethyl)silyl]oxycyclododeca-2,8-diyn-1-yl]oxy-dimethylsilane (PubChem CID 102446289) has the molecular formula C24H44O2Si2 and a molecular weight of 420.79 g/mol. Its IUPAC name is tert-butyl-[10-[tert-butyl(dimethyl)silyl]oxycyclododeca-2,8-diyn-1-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[10-[tert-butyl(dimethyl)silyl]oxycyclododeca-2,8-diyn-1-yl]oxy-dimethylsilane
PubChem CID102446289
Molecular FormulaC24H44O2Si2
Molecular Weight420.79 g/mol
Exact Mass420.29
IUPAC Nametert-butyl-[10-[tert-butyl(dimethyl)silyl]oxycyclododeca-2,8-diyn-1-yl]oxy-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC1C#CCCCCC#CC(O[Si](C)(C)C(C)(C)C)CC1
InChIInChI=1S/C24H44O2Si2/c1-23(2,3)27(7,8)25-21-17-15-13-11-12-14-16-18-22(20-19-21)26-28(9,10)24(4,5)6/h21-22H,11-14,19-20H2,1-10H3
InChIKeyJNNPZXRPWBRUFU-UHFFFAOYSA-N
XLogP7.13
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.79
LogP ≤ 57.13
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

Silane, dimethyl(non-5-yn-3-yloxy)hexyloxy-
CID 91735226
tert-butyl-[(5S)-5-[tert-butyl(dimethyl)silyl]oxyhept-6-ynoxy]-dimethylsilane
CID 10991922
(3S,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-5-triethylsilyloxy-1-trimethylsilylhept-1-yn-3-ol
CID 11305351
(2S,9S)-2,9-bis[[tert-butyl(dimethyl)silyl]oxy]trideca-4,7-diyn-6-one
CID 11339911
[(2S,3R,5S)-2,5-bis[[tert-butyl(dimethyl)silyl]oxy]hept-6-yn-3-yl]oxy-triethylsilane
CID 11420371
Tert-butyl-dec-5-yn-4-yloxy-dimethylsilane
CID 11821628
1-[Tert-butyl(dimethyl)silyl]oxydec-5-yn-4-ol
CID 24787557
2,2,3,3,16,16,17,17-Octamethyl-4,15-dioxa-3,16-disilaoctadec-9-yne
CID 71342150
CID 134969845
CID 134969845
Tert-butyl-[9-[tert-butyl(dimethyl)silyl]oxydeca-4,6-diyn-2-yloxy]-dimethylsilane
CID 134977101
Tri(propan-2-yl)-[11-tri(propan-2-yl)silyloxyundeca-1,6-diynoxy]silane
CID 134977532
(2R,5S,10R)-2,10-bis[[tert-butyl(dimethyl)silyl]oxy]undec-6-yn-5-ol
CID 135019170

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[10-[tert-butyl(dimethyl)silyl]oxycyclododeca-2,8-diyn-1-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[10-[tert-butyl(dimethyl)silyl]oxycyclododeca-2,8-diyn-1-yl]oxy-dimethylsilane (CID 102446289) is tert-butyl-[10-[tert-butyl(dimethyl)silyl]oxycyclododeca-2,8-diyn-1-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[10-[tert-butyl(dimethyl)silyl]oxycyclododeca-2,8-diyn-1-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[10-[tert-butyl(dimethyl)silyl]oxycyclododeca-2,8-diyn-1-yl]oxy-dimethylsilane is CC(C)(C)[Si](C)(C)OC1C#CCCCCC#CC(O[Si](C)(C)C(C)(C)C)CC1.
What is the InChIKey of tert-butyl-[10-[tert-butyl(dimethyl)silyl]oxycyclododeca-2,8-diyn-1-yl]oxy-dimethylsilane?
The InChIKey is JNNPZXRPWBRUFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H44O2Si2/c1-23(2,3)27(7,8)25-21-17-15-13-11-12-14-16-18-22(20-19-21)26-28(9,10)24(4,5)6/h21-22H,11-14,19-20H2,1-10H3.
What are the key properties of tert-butyl-[10-[tert-butyl(dimethyl)silyl]oxycyclododeca-2,8-diyn-1-yl]oxy-dimethylsilane?
tert-butyl-[10-[tert-butyl(dimethyl)silyl]oxycyclododeca-2,8-diyn-1-yl]oxy-dimethylsilane has a molecular weight of 420.79 g/mol, XLogP of 7.13, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[10-[tert-butyl(dimethyl)silyl]oxycyclododeca-2,8-diyn-1-yl]oxy-dimethylsilane is sourced from PubChem (CID 102446289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).