tert-butyl-[10-[tert-butyl(dimethyl)silyl]oxydeca-4,6-diynoxy]-dimethylsilane

C22H42O2Si2 — CID 11280882

IUPACtert-butyl-[10-[tert-butyl(dimethyl)silyl]oxydeca-4,6-diynoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCCCC#CC#CCCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H42O2Si2/c1-21(2,3)25(7,8)23-19-17-15-13-11-12-14-16-18-20-24-26(9,10)22(4,5)6/h15-20H2,1-10H3
InChIKeyDSGGGEUBOQVRME-UHFFFAOYSA-N
MW394.75 g/mol
LogP6.60
Rot. Bonds8

About tert-butyl-[10-[tert-butyl(dimethyl)silyl]oxydeca-4,6-diynoxy]-dimethylsilane

tert-butyl-[10-[tert-butyl(dimethyl)silyl]oxydeca-4,6-diynoxy]-dimethylsilane (PubChem CID 11280882) has the molecular formula C22H42O2Si2 and a molecular weight of 394.75 g/mol. Its IUPAC name is tert-butyl-[10-[tert-butyl(dimethyl)silyl]oxydeca-4,6-diynoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[10-[tert-butyl(dimethyl)silyl]oxydeca-4,6-diynoxy]-dimethylsilane
PubChem CID11280882
Molecular FormulaC22H42O2Si2
Molecular Weight394.75 g/mol
Exact Mass394.27
IUPAC Nametert-butyl-[10-[tert-butyl(dimethyl)silyl]oxydeca-4,6-diynoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCCCC#CC#CCCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H42O2Si2/c1-21(2,3)25(7,8)23-19-17-15-13-11-12-14-16-18-20-24-26(9,10)22(4,5)6/h15-20H2,1-10H3
InChIKeyDSGGGEUBOQVRME-UHFFFAOYSA-N
XLogP6.60
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.75
LogP ≤ 56.60
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
1,4-butanediol, tBDMS
CID 6430201
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
1-t-Butyldimethylsilyloxy-5-trimethylsilyl-4-pentyne
CID 10923628
Tert-butyl(3-(tert-butyldimethylsilyl)prop-2-ynyloxy)-dimethylsilane
CID 10968062
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
Trimethylsilyl 5-(trimethylsilyl)-4-pentynyl ether
CID 13661363
tert-Butyl(dimethyl){[4-(trimethylsilyl)but-3-yn-1-yl]oxy}silane
CID 13679439
Tert-butyl-[8-[tert-butyl(dimethyl)silyl]oxyocta-3,5-diynoxy]-dimethylsilane
CID 10248363
Silane, (1,1-dimethylethyl)dimethyl[[5-(tributylstannyl)-4-pentynyl]oxy]-
CID 10719758

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[10-[tert-butyl(dimethyl)silyl]oxydeca-4,6-diynoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[10-[tert-butyl(dimethyl)silyl]oxydeca-4,6-diynoxy]-dimethylsilane (CID 11280882) is tert-butyl-[10-[tert-butyl(dimethyl)silyl]oxydeca-4,6-diynoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[10-[tert-butyl(dimethyl)silyl]oxydeca-4,6-diynoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[10-[tert-butyl(dimethyl)silyl]oxydeca-4,6-diynoxy]-dimethylsilane is CC(C)(C)[Si](C)(C)OCCCC#CC#CCCCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[10-[tert-butyl(dimethyl)silyl]oxydeca-4,6-diynoxy]-dimethylsilane?
The InChIKey is DSGGGEUBOQVRME-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H42O2Si2/c1-21(2,3)25(7,8)23-19-17-15-13-11-12-14-16-18-20-24-26(9,10)22(4,5)6/h15-20H2,1-10H3.
What are the key properties of tert-butyl-[10-[tert-butyl(dimethyl)silyl]oxydeca-4,6-diynoxy]-dimethylsilane?
tert-butyl-[10-[tert-butyl(dimethyl)silyl]oxydeca-4,6-diynoxy]-dimethylsilane has a molecular weight of 394.75 g/mol, XLogP of 6.60, 8 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]oxydeca-4,6-diynoxy]-dimethylsilane is sourced from PubChem (CID 11280882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).