tert-butyl-(3-butyl-6,6-dimethyl-4-triethylsilylcyclohex-3-en-1-yl)oxy-dimethylsilane

C24H50OSi2 — CID 12007117

IUPACtert-butyl-(3-butyl-6,6-dimethyl-4-triethylsilylcyclohex-3-en-1-yl)oxy-dimethylsilane
SMILESCCCCC1=C([Si](CC)(CC)CC)CC(C)(C)C(O[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C24H50OSi2/c1-12-16-17-20-18-22(25-26(10,11)23(5,6)7)24(8,9)19-21(20)27(13-2,14-3)15-4/h22H,12-19H2,1-11H3
InChIKeyOWOQTTXGVZDWRX-UHFFFAOYSA-N
MW410.84 g/mol
LogP8.73
Rot. Bonds9

About tert-butyl-(3-butyl-6,6-dimethyl-4-triethylsilylcyclohex-3-en-1-yl)oxy-dimethylsilane

tert-butyl-(3-butyl-6,6-dimethyl-4-triethylsilylcyclohex-3-en-1-yl)oxy-dimethylsilane (PubChem CID 12007117) has the molecular formula C24H50OSi2 and a molecular weight of 410.84 g/mol. Its IUPAC name is tert-butyl-(3-butyl-6,6-dimethyl-4-triethylsilylcyclohex-3-en-1-yl)oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-(3-butyl-6,6-dimethyl-4-triethylsilylcyclohex-3-en-1-yl)oxy-dimethylsilane
PubChem CID12007117
Molecular FormulaC24H50OSi2
Molecular Weight410.84 g/mol
Exact Mass410.34
IUPAC Nametert-butyl-(3-butyl-6,6-dimethyl-4-triethylsilylcyclohex-3-en-1-yl)oxy-dimethylsilane
SMILESCCCCC1=C([Si](CC)(CC)CC)CC(C)(C)C(O[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C24H50OSi2/c1-12-16-17-20-18-22(25-26(10,11)23(5,6)7)24(8,9)19-21(20)27(13-2,14-3)15-4/h22H,12-19H2,1-11H3
InChIKeyOWOQTTXGVZDWRX-UHFFFAOYSA-N
XLogP8.73
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.84
LogP ≤ 58.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-dimethyl-[[(1S,2R,5S)-1-methyl-6-oxabicyclo[3.1.0]hexan-2-yl]oxy]silane
CID 102406518
(4S,5S,6aS)-3-butyl-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4,5,6,6a-tetrahydro-1H-pentalen-2-one
CID 11048429
tert-butyl-[[(1S,2R,6S)-1-ethyl-7-oxabicyclo[4.1.0]heptan-2-yl]oxy]-dimethylsilane
CID 24881290
(4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-[(2R)-heptan-2-yl]pyrrolidin-2-one
CID 10733992
tert-butyl-[[(2S,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-6-tributylstannyl-3,4-dihydro-2H-pyran-4-yl]oxy]-dimethylsilane
CID 11169717
(8S,8aS)-8-[tert-butyl(dimethyl)silyl]oxy-6,6,8a-trimethyl-1,2,3,5,7,8-hexahydronaphthalene-2,3-diol
CID 102023847
[tert-butyl(dimethyl)silyl] 2-butyl-5-oxocyclopentene-1-carboxylate
CID 10063175
(3aR,5R,6aS)-5-[tert-butyl(dimethyl)silyl]oxy-6a-methyl-1,3,3a,4,5,6-hexahydropentalen-2-one
CID 11086779
2-[(4R,8R)-4,8-bis[[tert-butyl(dimethyl)silyl]oxy]spiro[2.5]octan-6-ylidene]ethanol
CID 66750404
tert-butyl-[[(4S,6S)-6-butyl-2,2-dimethyl-1,3-dioxan-4-yl]methoxy]-dimethylsilane
CID 101195176
(1R,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-1,5-dimethyl-8-oxabicyclo[3.2.1]octan-6-one
CID 10755508
(4S,5S,9R)-4,9-bis[[tert-butyl(dimethyl)silyl]oxy]spiro[4.4]nonan-2-one
CID 11315513

Frequently Asked Questions

What is the IUPAC name of tert-butyl-(3-butyl-6,6-dimethyl-4-triethylsilylcyclohex-3-en-1-yl)oxy-dimethylsilane?
The IUPAC name of tert-butyl-(3-butyl-6,6-dimethyl-4-triethylsilylcyclohex-3-en-1-yl)oxy-dimethylsilane (CID 12007117) is tert-butyl-(3-butyl-6,6-dimethyl-4-triethylsilylcyclohex-3-en-1-yl)oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-(3-butyl-6,6-dimethyl-4-triethylsilylcyclohex-3-en-1-yl)oxy-dimethylsilane?
The canonical SMILES for tert-butyl-(3-butyl-6,6-dimethyl-4-triethylsilylcyclohex-3-en-1-yl)oxy-dimethylsilane is CCCCC1=C([Si](CC)(CC)CC)CC(C)(C)C(O[Si](C)(C)C(C)(C)C)C1.
What is the InChIKey of tert-butyl-(3-butyl-6,6-dimethyl-4-triethylsilylcyclohex-3-en-1-yl)oxy-dimethylsilane?
The InChIKey is OWOQTTXGVZDWRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H50OSi2/c1-12-16-17-20-18-22(25-26(10,11)23(5,6)7)24(8,9)19-21(20)27(13-2,14-3)15-4/h22H,12-19H2,1-11H3.
What are the key properties of tert-butyl-(3-butyl-6,6-dimethyl-4-triethylsilylcyclohex-3-en-1-yl)oxy-dimethylsilane?
tert-butyl-(3-butyl-6,6-dimethyl-4-triethylsilylcyclohex-3-en-1-yl)oxy-dimethylsilane has a molecular weight of 410.84 g/mol, XLogP of 8.73, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-(3-butyl-6,6-dimethyl-4-triethylsilylcyclohex-3-en-1-yl)oxy-dimethylsilane is sourced from PubChem (CID 12007117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).