tert-butyl-[7-[tert-butyl(dimethyl)silyl]oxyhept-2-ynoxy]-dimethylsilane

C19H40O2Si2 — CID 90204747

IUPACtert-butyl-[7-[tert-butyl(dimethyl)silyl]oxyhept-2-ynoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCC#CCCCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H40O2Si2/c1-18(2,3)22(7,8)20-16-14-12-11-13-15-17-21-23(9,10)19(4,5)6/h11-12,14,16-17H2,1-10H3
InChIKeySSTWRDRSTVZXPH-UHFFFAOYSA-N
MW356.70 g/mol
LogP6.20
Rot. Bonds7

About tert-butyl-[7-[tert-butyl(dimethyl)silyl]oxyhept-2-ynoxy]-dimethylsilane

tert-butyl-[7-[tert-butyl(dimethyl)silyl]oxyhept-2-ynoxy]-dimethylsilane (PubChem CID 90204747) has the molecular formula C19H40O2Si2 and a molecular weight of 356.70 g/mol. Its IUPAC name is tert-butyl-[7-[tert-butyl(dimethyl)silyl]oxyhept-2-ynoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[7-[tert-butyl(dimethyl)silyl]oxyhept-2-ynoxy]-dimethylsilane
PubChem CID90204747
Molecular FormulaC19H40O2Si2
Molecular Weight356.70 g/mol
Exact Mass356.26
IUPAC Nametert-butyl-[7-[tert-butyl(dimethyl)silyl]oxyhept-2-ynoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCC#CCCCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H40O2Si2/c1-18(2,3)22(7,8)20-16-14-12-11-13-15-17-21-23(9,10)19(4,5)6/h11-12,14,16-17H2,1-10H3
InChIKeySSTWRDRSTVZXPH-UHFFFAOYSA-N
XLogP6.20
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.70
LogP ≤ 56.20
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

6-(t-Butyldimethylsilyloxy)-1-hexyne
CID 11009448
2,2,3,3,11,11,12,12-Octamethyl-4,10-dioxa-3,11-disilatridecane
CID 529127
2,2,3,3,16,16,17,17-Octamethyl-4,15-dioxa-3,16-disilaoctadec-9-yne
CID 71342150
Trimethyl(6-trimethylsilylhex-5-ynoxy)silane
CID 10243473
4,9-Dioxa-3,10-disiladodec-6-yne, 2,2,3,3,10,10,11,11-octamethyl-
CID 10757684
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
1,6-hexanediol, tBDMS
CID 6430202
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
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

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[7-[tert-butyl(dimethyl)silyl]oxyhept-2-ynoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[7-[tert-butyl(dimethyl)silyl]oxyhept-2-ynoxy]-dimethylsilane (CID 90204747) is tert-butyl-[7-[tert-butyl(dimethyl)silyl]oxyhept-2-ynoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[7-[tert-butyl(dimethyl)silyl]oxyhept-2-ynoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[7-[tert-butyl(dimethyl)silyl]oxyhept-2-ynoxy]-dimethylsilane is CC(C)(C)[Si](C)(C)OCC#CCCCCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[7-[tert-butyl(dimethyl)silyl]oxyhept-2-ynoxy]-dimethylsilane?
The InChIKey is SSTWRDRSTVZXPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40O2Si2/c1-18(2,3)22(7,8)20-16-14-12-11-13-15-17-21-23(9,10)19(4,5)6/h11-12,14,16-17H2,1-10H3.
What are the key properties of tert-butyl-[7-[tert-butyl(dimethyl)silyl]oxyhept-2-ynoxy]-dimethylsilane?
tert-butyl-[7-[tert-butyl(dimethyl)silyl]oxyhept-2-ynoxy]-dimethylsilane has a molecular weight of 356.70 g/mol, XLogP of 6.20, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[7-[tert-butyl(dimethyl)silyl]oxyhept-2-ynoxy]-dimethylsilane is sourced from PubChem (CID 90204747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).