tert-butyl-dimethyl-(3,6,6-trimethyl-4-triethylsilylcyclohex-3-en-1-yl)oxysilane

C21H44OSi2 — CID 12007116

IUPACtert-butyl-dimethyl-(3,6,6-trimethyl-4-triethylsilylcyclohex-3-en-1-yl)oxysilane
SMILESCC[Si](CC)(CC)C1=C(C)CC(O[Si](C)(C)C(C)(C)C)C(C)(C)C1
InChIInChI=1S/C21H44OSi2/c1-12-24(13-2,14-3)18-16-21(8,9)19(15-17(18)4)22-23(10,11)20(5,6)7/h19H,12-16H2,1-11H3
InChIKeyOANISPZZOXTCIS-UHFFFAOYSA-N
MW368.75 g/mol
LogP7.56
Rot. Bonds6

About tert-butyl-dimethyl-(3,6,6-trimethyl-4-triethylsilylcyclohex-3-en-1-yl)oxysilane

tert-butyl-dimethyl-(3,6,6-trimethyl-4-triethylsilylcyclohex-3-en-1-yl)oxysilane (PubChem CID 12007116) has the molecular formula C21H44OSi2 and a molecular weight of 368.75 g/mol. Its IUPAC name is tert-butyl-dimethyl-(3,6,6-trimethyl-4-triethylsilylcyclohex-3-en-1-yl)oxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-(3,6,6-trimethyl-4-triethylsilylcyclohex-3-en-1-yl)oxysilane
PubChem CID12007116
Molecular FormulaC21H44OSi2
Molecular Weight368.75 g/mol
Exact Mass368.29
IUPAC Nametert-butyl-dimethyl-(3,6,6-trimethyl-4-triethylsilylcyclohex-3-en-1-yl)oxysilane
SMILESCC[Si](CC)(CC)C1=C(C)CC(O[Si](C)(C)C(C)(C)C)C(C)(C)C1
InChIInChI=1S/C21H44OSi2/c1-12-24(13-2,14-3)18-16-21(8,9)19(15-17(18)4)22-23(10,11)20(5,6)7/h19H,12-16H2,1-11H3
InChIKeyOANISPZZOXTCIS-UHFFFAOYSA-N
XLogP7.56
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.75
LogP ≤ 57.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze tert-butyl-dimethyl-(3,6,6-trimethyl-4-triethylsilylcyclohex-3-en-1-yl)oxysilane with MolForge

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Launch Full Analysis

Related Compounds

(1S)-1-tert-butyldimethylsilyloxy-3,4,5,5-tetramethyl-3-cyclohexene
CID 57276695
tert-butyl-dimethyl-[(1R)-3,4,5,5-tetramethylcyclohex-3-en-1-yl]oxysilane
CID 10683366
tert-butyl-[(1S)-3-ethenyl-2,2-dimethylcyclohex-3-en-1-yl]oxy-dimethylsilane
CID 11149799
Tert-butyl-(3-butyl-6,6-dimethyl-4-triethylsilylcyclohex-3-en-1-yl)oxy-dimethylsilane
CID 12007117
Tert-butyl-dimethyl-(3,4,5,5-tetramethylcyclohex-3-en-1-yl)oxysilane
CID 15375848
[6-Tert-butyl-3,4-dimethyl-1,1-bis(trimethylsilyl)-2,5-dihydrosilin-6-yl]oxy-trimethylsilane
CID 101392212
CID 102086715
CID 102086715
Tert-butyl-dimethyl-[2,2,4-trimethyl-3-(trimethylstannylmethyl)cyclohex-3-en-1-yl]oxysilane
CID 177470456

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-(3,6,6-trimethyl-4-triethylsilylcyclohex-3-en-1-yl)oxysilane?
The IUPAC name of tert-butyl-dimethyl-(3,6,6-trimethyl-4-triethylsilylcyclohex-3-en-1-yl)oxysilane (CID 12007116) is tert-butyl-dimethyl-(3,6,6-trimethyl-4-triethylsilylcyclohex-3-en-1-yl)oxysilane.
What is the SMILES notation for tert-butyl-dimethyl-(3,6,6-trimethyl-4-triethylsilylcyclohex-3-en-1-yl)oxysilane?
The canonical SMILES for tert-butyl-dimethyl-(3,6,6-trimethyl-4-triethylsilylcyclohex-3-en-1-yl)oxysilane is CC[Si](CC)(CC)C1=C(C)CC(O[Si](C)(C)C(C)(C)C)C(C)(C)C1.
What is the InChIKey of tert-butyl-dimethyl-(3,6,6-trimethyl-4-triethylsilylcyclohex-3-en-1-yl)oxysilane?
The InChIKey is OANISPZZOXTCIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H44OSi2/c1-12-24(13-2,14-3)18-16-21(8,9)19(15-17(18)4)22-23(10,11)20(5,6)7/h19H,12-16H2,1-11H3.
What are the key properties of tert-butyl-dimethyl-(3,6,6-trimethyl-4-triethylsilylcyclohex-3-en-1-yl)oxysilane?
tert-butyl-dimethyl-(3,6,6-trimethyl-4-triethylsilylcyclohex-3-en-1-yl)oxysilane has a molecular weight of 368.75 g/mol, XLogP of 7.56, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-(3,6,6-trimethyl-4-triethylsilylcyclohex-3-en-1-yl)oxysilane is sourced from PubChem (CID 12007116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).