2,3-dimethylbutan-2-yl-[10-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-1,10-dimethylcyclododeca-2,8-diyn-1-yl]oxy-dimethylsilane

C30H56O2Si2 — CID 102446288

IUPAC2,3-dimethylbutan-2-yl-[10-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-1,10-dimethylcyclododeca-2,8-diyn-1-yl]oxy-dimethylsilane
SMILESCC(C)C(C)(C)[Si](C)(C)OC1(C)C#CCCCCC#CC(C)(O[Si](C)(C)C(C)(C)C(C)C)CC1
InChIInChI=1S/C30H56O2Si2/c1-25(2)27(5,6)33(11,12)31-29(9)21-19-17-15-16-18-20-22-30(10,24-23-29)32-34(13,14)28(7,8)26(3)4/h25-26H,15-18,23-24H2,1-14H3
InChIKeyNDXXGPGPMALRED-UHFFFAOYSA-N
MW504.95 g/mol
LogP9.18
Rot. Bonds8

About 2,3-dimethylbutan-2-yl-[10-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-1,10-dimethylcyclododeca-2,8-diyn-1-yl]oxy-dimethylsilane

2,3-dimethylbutan-2-yl-[10-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-1,10-dimethylcyclododeca-2,8-diyn-1-yl]oxy-dimethylsilane (PubChem CID 102446288) has the molecular formula C30H56O2Si2 and a molecular weight of 504.95 g/mol. Its IUPAC name is 2,3-dimethylbutan-2-yl-[10-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-1,10-dimethylcyclododeca-2,8-diyn-1-yl]oxy-dimethylsilane.

Molecular Properties

Compound Name2,3-dimethylbutan-2-yl-[10-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-1,10-dimethylcyclododeca-2,8-diyn-1-yl]oxy-dimethylsilane
PubChem CID102446288
Molecular FormulaC30H56O2Si2
Molecular Weight504.95 g/mol
Exact Mass504.38
IUPAC Name2,3-dimethylbutan-2-yl-[10-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-1,10-dimethylcyclododeca-2,8-diyn-1-yl]oxy-dimethylsilane
SMILESCC(C)C(C)(C)[Si](C)(C)OC1(C)C#CCCCCC#CC(C)(O[Si](C)(C)C(C)(C)C(C)C)CC1
InChIInChI=1S/C30H56O2Si2/c1-25(2)27(5,6)33(11,12)31-29(9)21-19-17-15-16-18-20-22-30(10,24-23-29)32-34(13,14)28(7,8)26(3)4/h25-26H,15-18,23-24H2,1-14H3
InChIKeyNDXXGPGPMALRED-UHFFFAOYSA-N
XLogP9.18
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.95
LogP ≤ 59.18
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

3,3'-Dimethyl-3,3'-bis-(tert-butyldimethylsilyloxy)-octa-1,1'-diyne
CID 11825400
rac.-1,10-Dimethyl-1,10-bis-(tert.-butyldimethylsilyloxy)-cyclododeca-2,8-diyne
CID 139055165
Tert-butyl-[10-[tert-butyl(dimethyl)silyl]oxy-1,10-dimethylcyclododeca-2,8-diyn-1-yl]oxy-dimethylsilane
CID 73119055
4,7-Bis(trimethylsiloxy)-2,4,7,9-tetramethyl-5-decyne
CID 91696953
Tert-butyl-[11-[tert-butyl(dimethyl)silyl]oxy-1,11-dimethylcyclotrideca-2,9-diyn-1-yl]oxy-dimethylsilane
CID 102069974
Tert-butyl-[12-[tert-butyl(dimethyl)silyl]oxy-1,12-dimethylcyclotetradeca-2,10-diyn-1-yl]oxy-dimethylsilane
CID 102069975
2,3-Dimethylbutan-2-yl-[10-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxycyclododeca-2,8-diyn-1-yl]oxy-dimethylsilane
CID 102446290
Tert-butyl-(2-methylhept-6-yn-2-yloxy)-di(propan-2-yl)silane
CID 59593923
tert-butyl-[(1R,10S)-10-[tert-butyl(dimethyl)silyl]oxy-1,10-dimethylcyclododeca-2,8-diyn-1-yl]oxy-dimethylsilane
CID 11826467

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethylbutan-2-yl-[10-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-1,10-dimethylcyclododeca-2,8-diyn-1-yl]oxy-dimethylsilane?
The IUPAC name of 2,3-dimethylbutan-2-yl-[10-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-1,10-dimethylcyclododeca-2,8-diyn-1-yl]oxy-dimethylsilane (CID 102446288) is 2,3-dimethylbutan-2-yl-[10-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-1,10-dimethylcyclododeca-2,8-diyn-1-yl]oxy-dimethylsilane.
What is the SMILES notation for 2,3-dimethylbutan-2-yl-[10-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-1,10-dimethylcyclododeca-2,8-diyn-1-yl]oxy-dimethylsilane?
The canonical SMILES for 2,3-dimethylbutan-2-yl-[10-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-1,10-dimethylcyclododeca-2,8-diyn-1-yl]oxy-dimethylsilane is CC(C)C(C)(C)[Si](C)(C)OC1(C)C#CCCCCC#CC(C)(O[Si](C)(C)C(C)(C)C(C)C)CC1.
What is the InChIKey of 2,3-dimethylbutan-2-yl-[10-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-1,10-dimethylcyclododeca-2,8-diyn-1-yl]oxy-dimethylsilane?
The InChIKey is NDXXGPGPMALRED-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H56O2Si2/c1-25(2)27(5,6)33(11,12)31-29(9)21-19-17-15-16-18-20-22-30(10,24-23-29)32-34(13,14)28(7,8)26(3)4/h25-26H,15-18,23-24H2,1-14H3.
What are the key properties of 2,3-dimethylbutan-2-yl-[10-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-1,10-dimethylcyclododeca-2,8-diyn-1-yl]oxy-dimethylsilane?
2,3-dimethylbutan-2-yl-[10-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-1,10-dimethylcyclododeca-2,8-diyn-1-yl]oxy-dimethylsilane has a molecular weight of 504.95 g/mol, XLogP of 9.18, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethylbutan-2-yl-[10-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-1,10-dimethylcyclododeca-2,8-diyn-1-yl]oxy-dimethylsilane is sourced from PubChem (CID 102446288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).