triethyl-[(3R,4R,6S,7R)-3,5,7-trimethyl-6-triethylsilyloxynona-1,8-diyn-4-yl]oxysilane

C24H46O2Si2 — CID 11384680

IUPACtriethyl-[(3R,4R,6S,7R)-3,5,7-trimethyl-6-triethylsilyloxynona-1,8-diyn-4-yl]oxysilane
SMILESC#C[C@@H](C)[C@H](O[Si](CC)(CC)CC)C(C)[C@H](O[Si](CC)(CC)CC)[C@H](C)C#C
InChIInChI=1S/C24H46O2Si2/c1-12-20(9)23(25-27(14-3,15-4)16-5)22(11)24(21(10)13-2)26-28(17-6,18-7)19-8/h1-2,20-24H,14-19H2,3-11H3/t20-,21-,22?,23-,24+/m1/s1
InChIKeyKOHWAAKSONYTDB-OBAUXHOFSA-N
MW422.80 g/mol
LogP6.94
Rot. Bonds14

About triethyl-[(3R,4R,6S,7R)-3,5,7-trimethyl-6-triethylsilyloxynona-1,8-diyn-4-yl]oxysilane

triethyl-[(3R,4R,6S,7R)-3,5,7-trimethyl-6-triethylsilyloxynona-1,8-diyn-4-yl]oxysilane (PubChem CID 11384680) has the molecular formula C24H46O2Si2 and a molecular weight of 422.80 g/mol. Its IUPAC name is triethyl-[(3R,4R,6S,7R)-3,5,7-trimethyl-6-triethylsilyloxynona-1,8-diyn-4-yl]oxysilane.

Molecular Properties

Compound Nametriethyl-[(3R,4R,6S,7R)-3,5,7-trimethyl-6-triethylsilyloxynona-1,8-diyn-4-yl]oxysilane
PubChem CID11384680
Molecular FormulaC24H46O2Si2
Molecular Weight422.80 g/mol
Exact Mass422.30
IUPAC Nametriethyl-[(3R,4R,6S,7R)-3,5,7-trimethyl-6-triethylsilyloxynona-1,8-diyn-4-yl]oxysilane
SMILESC#C[C@@H](C)[C@H](O[Si](CC)(CC)CC)C(C)[C@H](O[Si](CC)(CC)CC)[C@H](C)C#C
InChIInChI=1S/C24H46O2Si2/c1-12-20(9)23(25-27(14-3,15-4)16-5)22(11)24(21(10)13-2)26-28(17-6,18-7)19-8/h1-2,20-24H,14-19H2,3-11H3/t20-,21-,22?,23-,24+/m1/s1
InChIKeyKOHWAAKSONYTDB-OBAUXHOFSA-N
XLogP6.94
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.80
LogP ≤ 56.94
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'}

Analyze triethyl-[(3R,4R,6S,7R)-3,5,7-trimethyl-6-triethylsilyloxynona-1,8-diyn-4-yl]oxysilane with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl-[(2S,5S,6R)-2,6-dimethyl-5-triethylsilyloxyoct-7-ynoxy]-dimethylsilane
CID 10548918
tert-butyl-[(3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-5-ynoxy]-dimethylsilane
CID 11544935
tert-butyl-dimethyl-[(3R,4S)-4-methyl-3-triethylsilyloxyhex-5-ynoxy]silane
CID 11602878
[(1R,2S,3S,4R)-1-[(2S)-butan-2-yl]-2,4-dimethyl-3-trimethylsilyloxyhept-5-ynoxy]-tert-butyl-dimethylsilane
CID 25107594
[(1R,3S,4R)-3-dimethylsilyloxy-2,4-dimethyl-1-[(2R)-pent-3-yn-2-yl]hept-5-ynoxy]-dimethylsilane
CID 134846317
CID 134969845
CID 134969845
triethyl-[(4R,5R,7S,8R)-4,6,8-trimethyl-7-triethylsilyloxyundeca-2,9-diyn-5-yl]oxysilane
CID 134977488
Tert-butyl-[4-[4-[tert-butyl(dimethyl)silyl]oxybut-1-ynyl]cyclohexyl]oxy-dimethylsilane
CID 135008502
tert-butyl-dimethyl-[(2R,3S)-3-methyl-7-trimethylsilylhept-6-yn-2-yl]oxysilane
CID 135078090
Tert-butyl-[3-[tert-butyl(dimethyl)silyl]oxy-2-ethylhexoxy]-dimethylsilane
CID 146163842
Tert-butyl-[4-[tert-butyl(dimethyl)silyl]oxy-1-cyclopentylbut-2-ynoxy]-dimethylsilane
CID 14314328
(3S,4R,5S,7R)-4-(tert-Butyldimethylsilyloxy)-7-((tert-butyldimethylsilyloxy)methyl)-3,5-dimethyloct-1-yne
CID 11407294

Frequently Asked Questions

What is the IUPAC name of triethyl-[(3R,4R,6S,7R)-3,5,7-trimethyl-6-triethylsilyloxynona-1,8-diyn-4-yl]oxysilane?
The IUPAC name of triethyl-[(3R,4R,6S,7R)-3,5,7-trimethyl-6-triethylsilyloxynona-1,8-diyn-4-yl]oxysilane (CID 11384680) is triethyl-[(3R,4R,6S,7R)-3,5,7-trimethyl-6-triethylsilyloxynona-1,8-diyn-4-yl]oxysilane.
What is the SMILES notation for triethyl-[(3R,4R,6S,7R)-3,5,7-trimethyl-6-triethylsilyloxynona-1,8-diyn-4-yl]oxysilane?
The canonical SMILES for triethyl-[(3R,4R,6S,7R)-3,5,7-trimethyl-6-triethylsilyloxynona-1,8-diyn-4-yl]oxysilane is C#C[C@@H](C)[C@H](O[Si](CC)(CC)CC)C(C)[C@H](O[Si](CC)(CC)CC)[C@H](C)C#C.
What is the InChIKey of triethyl-[(3R,4R,6S,7R)-3,5,7-trimethyl-6-triethylsilyloxynona-1,8-diyn-4-yl]oxysilane?
The InChIKey is KOHWAAKSONYTDB-OBAUXHOFSA-N. The full InChI is InChI=1S/C24H46O2Si2/c1-12-20(9)23(25-27(14-3,15-4)16-5)22(11)24(21(10)13-2)26-28(17-6,18-7)19-8/h1-2,20-24H,14-19H2,3-11H3/t20-,21-,22?,23-,24+/m1/s1.
What are the key properties of triethyl-[(3R,4R,6S,7R)-3,5,7-trimethyl-6-triethylsilyloxynona-1,8-diyn-4-yl]oxysilane?
triethyl-[(3R,4R,6S,7R)-3,5,7-trimethyl-6-triethylsilyloxynona-1,8-diyn-4-yl]oxysilane has a molecular weight of 422.80 g/mol, XLogP of 6.94, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-[(3R,4R,6S,7R)-3,5,7-trimethyl-6-triethylsilyloxynona-1,8-diyn-4-yl]oxysilane is sourced from PubChem (CID 11384680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).