tert-butyl-[(3E,5E,7E)-10-[tert-butyl(dimethyl)silyl]deca-3,5,7-trien-9-ynoxy]-dimethylsilane

C22H40OSi2 — CID 101405395

IUPACtert-butyl-[(3E,5E,7E)-10-[tert-butyl(dimethyl)silyl]deca-3,5,7-trien-9-ynoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)C#C/C=C/C=C/C=C/CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H40OSi2/c1-21(2,3)24(7,8)20-18-16-14-12-11-13-15-17-19-23-25(9,10)22(4,5)6/h11-16H,17,19H2,1-10H3/b12-11+,15-13+,16-14+
InChIKeyUQCSWHIYXIGWCE-CAGMGGGLSA-N
MW376.73 g/mol
LogP7.12
Rot. Bonds6

About tert-butyl-[(3E,5E,7E)-10-[tert-butyl(dimethyl)silyl]deca-3,5,7-trien-9-ynoxy]-dimethylsilane

tert-butyl-[(3E,5E,7E)-10-[tert-butyl(dimethyl)silyl]deca-3,5,7-trien-9-ynoxy]-dimethylsilane (PubChem CID 101405395) has the molecular formula C22H40OSi2 and a molecular weight of 376.73 g/mol. Its IUPAC name is tert-butyl-[(3E,5E,7E)-10-[tert-butyl(dimethyl)silyl]deca-3,5,7-trien-9-ynoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(3E,5E,7E)-10-[tert-butyl(dimethyl)silyl]deca-3,5,7-trien-9-ynoxy]-dimethylsilane
PubChem CID101405395
Molecular FormulaC22H40OSi2
Molecular Weight376.73 g/mol
Exact Mass376.26
IUPAC Nametert-butyl-[(3E,5E,7E)-10-[tert-butyl(dimethyl)silyl]deca-3,5,7-trien-9-ynoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)C#C/C=C/C=C/C=C/CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H40OSi2/c1-21(2,3)24(7,8)20-18-16-14-12-11-13-15-17-19-23-25(9,10)22(4,5)6/h11-16H,17,19H2,1-10H3/b12-11+,15-13+,16-14+
InChIKeyUQCSWHIYXIGWCE-CAGMGGGLSA-N
XLogP7.12
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.73
LogP ≤ 57.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze tert-butyl-[(3E,5E,7E)-10-[tert-butyl(dimethyl)silyl]deca-3,5,7-trien-9-ynoxy]-dimethylsilane with MolForge

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Related Compounds

tert-butyl-[(4E,6E,8E)-deca-4,6,8-trienoxy]-dimethylsilane
CID 134860974
tert-butyl-[(Z)-4-[tert-butyl(dimethyl)silyl]but-3-enoxy]-dimethylsilane
CID 11702169
tert-butyl-dimethyl-[(3E,5E)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hexa-3,5-dienoxy]silane
CID 102260350
tert-butyl-[(7Z,9Z,11Z,13Z)-hexadeca-7,9,11,13-tetraenoxy]-dimethylsilane
CID 101176101
tert-butyl-[(10E,12Z)-hexadeca-10,12-dienoxy]-dimethylsilane
CID 11371613
(5E,7E)-12-[tert-butyl(dimethyl)silyl]oxydodeca-5,7-dienal
CID 10543017
(E)-5-[tert-butyl(dimethyl)silyl]oxypent-2-enoic acid
CID 87677044
tert-butyl-(7-chlorohepta-3,4-dienoxy)-dimethylsilane
CID 23253894
(E)-6-[tert-butyl(dimethyl)silyl]oxyhex-2-enal
CID 11310746
tert-butyl-[6-[tert-butyl(dimethyl)silyl]oxyhexa-2,4-dienoxy]-dimethylsilane
CID 123215238
5-[tert-butyl(dimethyl)silyl]oxypent-2-enamide
CID 72594662
tert-butyl-dimethyl-(5-trimethylsilylpenta-3,4-dienoxy)silane
CID 15363417

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(3E,5E,7E)-10-[tert-butyl(dimethyl)silyl]deca-3,5,7-trien-9-ynoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(3E,5E,7E)-10-[tert-butyl(dimethyl)silyl]deca-3,5,7-trien-9-ynoxy]-dimethylsilane (CID 101405395) is tert-butyl-[(3E,5E,7E)-10-[tert-butyl(dimethyl)silyl]deca-3,5,7-trien-9-ynoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(3E,5E,7E)-10-[tert-butyl(dimethyl)silyl]deca-3,5,7-trien-9-ynoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(3E,5E,7E)-10-[tert-butyl(dimethyl)silyl]deca-3,5,7-trien-9-ynoxy]-dimethylsilane is CC(C)(C)[Si](C)(C)C#C/C=C/C=C/C=C/CCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(3E,5E,7E)-10-[tert-butyl(dimethyl)silyl]deca-3,5,7-trien-9-ynoxy]-dimethylsilane?
The InChIKey is UQCSWHIYXIGWCE-CAGMGGGLSA-N. The full InChI is InChI=1S/C22H40OSi2/c1-21(2,3)24(7,8)20-18-16-14-12-11-13-15-17-19-23-25(9,10)22(4,5)6/h11-16H,17,19H2,1-10H3/b12-11+,15-13+,16-14+.
What are the key properties of tert-butyl-[(3E,5E,7E)-10-[tert-butyl(dimethyl)silyl]deca-3,5,7-trien-9-ynoxy]-dimethylsilane?
tert-butyl-[(3E,5E,7E)-10-[tert-butyl(dimethyl)silyl]deca-3,5,7-trien-9-ynoxy]-dimethylsilane has a molecular weight of 376.73 g/mol, XLogP of 7.12, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(3E,5E,7E)-10-[tert-butyl(dimethyl)silyl]deca-3,5,7-trien-9-ynoxy]-dimethylsilane is sourced from PubChem (CID 101405395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).