[9,9-bis(methoxymethyl)-2,4,4-trimethyldodec-1-en-6,11-diyn-5-yl]oxy-tert-butyl-dimethylsilane

C25H44O3Si — CID 11144282

IUPAC[9,9-bis(methoxymethyl)-2,4,4-trimethyldodec-1-en-6,11-diyn-5-yl]oxy-tert-butyl-dimethylsilane
SMILESC#CCC(CC#CC(O[Si](C)(C)C(C)(C)C)C(C)(C)CC(=C)C)(COC)COC
InChIInChI=1S/C25H44O3Si/c1-13-16-25(19-26-9,20-27-10)17-14-15-22(24(7,8)18-21(2)3)28-29(11,12)23(4,5)6/h1,22H,2,16-20H2,3-12H3
InChIKeyQHKQYVYSGPALTQ-UHFFFAOYSA-N
MW420.71 g/mol
LogP6.07
Rot. Bonds11

About [9,9-bis(methoxymethyl)-2,4,4-trimethyldodec-1-en-6,11-diyn-5-yl]oxy-tert-butyl-dimethylsilane

[9,9-bis(methoxymethyl)-2,4,4-trimethyldodec-1-en-6,11-diyn-5-yl]oxy-tert-butyl-dimethylsilane (PubChem CID 11144282) has the molecular formula C25H44O3Si and a molecular weight of 420.71 g/mol. Its IUPAC name is [9,9-bis(methoxymethyl)-2,4,4-trimethyldodec-1-en-6,11-diyn-5-yl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[9,9-bis(methoxymethyl)-2,4,4-trimethyldodec-1-en-6,11-diyn-5-yl]oxy-tert-butyl-dimethylsilane
PubChem CID11144282
Molecular FormulaC25H44O3Si
Molecular Weight420.71 g/mol
Exact Mass420.31
IUPAC Name[9,9-bis(methoxymethyl)-2,4,4-trimethyldodec-1-en-6,11-diyn-5-yl]oxy-tert-butyl-dimethylsilane
SMILESC#CCC(CC#CC(O[Si](C)(C)C(C)(C)C)C(C)(C)CC(=C)C)(COC)COC
InChIInChI=1S/C25H44O3Si/c1-13-16-25(19-26-9,20-27-10)17-14-15-22(24(7,8)18-21(2)3)28-29(11,12)23(4,5)6/h1,22H,2,16-20H2,3-12H3
InChIKeyQHKQYVYSGPALTQ-UHFFFAOYSA-N
XLogP6.07
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.71
LogP ≤ 56.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Tert-butyl-[6-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethyloct-7-en-1-yn-4-yl]oxy-dimethylsilane
CID 12147910
[(3S,5R)-2,5-dimethyloct-1-en-7-yn-3-yl]oxy-tri(propan-2-yl)silane
CID 157359661
tert-butyl-[(4R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethyloct-7-en-1-yn-4-yl]oxy-dimethylsilane
CID 10927403
Tert-butyl-dimethyl-(5,5,7-trimethyloct-7-en-1-yn-4-yloxy)silane
CID 11000465
Tert-butyl-dimethyl-(2,5,5-trimethyloct-1-en-7-yn-4-yloxy)silane
CID 11011416
Ethyl 10-[tert-butyl(dimethyl)silyl]oxy-11,11,13-trimethyltetradec-13-en-2,8-diynoate
CID 11015277
Tert-butyl-dimethyl-(4,4,6-trimethylhept-6-en-1-yn-3-yloxy)silane
CID 11108315
Tert-butyl-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methoxy-2-(2-methylprop-2-enyl)hex-4-ynoxy]-dimethylsilane
CID 11561264
tert-butyl-[(4R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethyloct-7-en-1-yn-4-yl]oxy-dimethylsilane
CID 11825446
Tert-butyl-dimethyl-(2,4,4-trimethyltridec-1-en-6,12-diyn-5-yloxy)silane
CID 102600478
Tert-butyl-(4,4-dimethyltetradec-1-en-7,13-diyn-6-yloxy)-dimethylsilane
CID 102600480

Frequently Asked Questions

What is the IUPAC name of [9,9-bis(methoxymethyl)-2,4,4-trimethyldodec-1-en-6,11-diyn-5-yl]oxy-tert-butyl-dimethylsilane?
The IUPAC name of [9,9-bis(methoxymethyl)-2,4,4-trimethyldodec-1-en-6,11-diyn-5-yl]oxy-tert-butyl-dimethylsilane (CID 11144282) is [9,9-bis(methoxymethyl)-2,4,4-trimethyldodec-1-en-6,11-diyn-5-yl]oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [9,9-bis(methoxymethyl)-2,4,4-trimethyldodec-1-en-6,11-diyn-5-yl]oxy-tert-butyl-dimethylsilane?
The canonical SMILES for [9,9-bis(methoxymethyl)-2,4,4-trimethyldodec-1-en-6,11-diyn-5-yl]oxy-tert-butyl-dimethylsilane is C#CCC(CC#CC(O[Si](C)(C)C(C)(C)C)C(C)(C)CC(=C)C)(COC)COC.
What is the InChIKey of [9,9-bis(methoxymethyl)-2,4,4-trimethyldodec-1-en-6,11-diyn-5-yl]oxy-tert-butyl-dimethylsilane?
The InChIKey is QHKQYVYSGPALTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H44O3Si/c1-13-16-25(19-26-9,20-27-10)17-14-15-22(24(7,8)18-21(2)3)28-29(11,12)23(4,5)6/h1,22H,2,16-20H2,3-12H3.
What are the key properties of [9,9-bis(methoxymethyl)-2,4,4-trimethyldodec-1-en-6,11-diyn-5-yl]oxy-tert-butyl-dimethylsilane?
[9,9-bis(methoxymethyl)-2,4,4-trimethyldodec-1-en-6,11-diyn-5-yl]oxy-tert-butyl-dimethylsilane has a molecular weight of 420.71 g/mol, XLogP of 6.07, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [9,9-bis(methoxymethyl)-2,4,4-trimethyldodec-1-en-6,11-diyn-5-yl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 11144282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).