tert-butyl-[(1R)-4-ethynyl-3,5,5-trimethylcyclohex-3-en-1-yl]oxy-dimethylsilane

C17H30OSi — CID 10660274

IUPACtert-butyl-[(1R)-4-ethynyl-3,5,5-trimethylcyclohex-3-en-1-yl]oxy-dimethylsilane
SMILESC#CC1=C(C)C[C@@H](O[Si](C)(C)C(C)(C)C)CC1(C)C
InChIInChI=1S/C17H30OSi/c1-10-15-13(2)11-14(12-17(15,6)7)18-19(8,9)16(3,4)5/h1,14H,11-12H2,2-9H3/t14-/m1/s1
InChIKeyRZBCGAGMXXKISV-CQSZACIVSA-N
MW278.51 g/mol
LogP5.15
Rot. Bonds2

About tert-butyl-[(1R)-4-ethynyl-3,5,5-trimethylcyclohex-3-en-1-yl]oxy-dimethylsilane

tert-butyl-[(1R)-4-ethynyl-3,5,5-trimethylcyclohex-3-en-1-yl]oxy-dimethylsilane (PubChem CID 10660274) has the molecular formula C17H30OSi and a molecular weight of 278.51 g/mol. Its IUPAC name is tert-butyl-[(1R)-4-ethynyl-3,5,5-trimethylcyclohex-3-en-1-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(1R)-4-ethynyl-3,5,5-trimethylcyclohex-3-en-1-yl]oxy-dimethylsilane
PubChem CID10660274
Molecular FormulaC17H30OSi
Molecular Weight278.51 g/mol
Exact Mass278.21
IUPAC Nametert-butyl-[(1R)-4-ethynyl-3,5,5-trimethylcyclohex-3-en-1-yl]oxy-dimethylsilane
SMILESC#CC1=C(C)C[C@@H](O[Si](C)(C)C(C)(C)C)CC1(C)C
InChIInChI=1S/C17H30OSi/c1-10-15-13(2)11-14(12-17(15,6)7)18-19(8,9)16(3,4)5/h1,14H,11-12H2,2-9H3/t14-/m1/s1
InChIKeyRZBCGAGMXXKISV-CQSZACIVSA-N
XLogP5.15
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.51
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Tert-butyl-dimethyl-[1-(2,6,6-trimethylcyclohexen-1-yl)but-3-ynoxy]silane
CID 14635022
[(1R)-4-[(E)-but-1-en-3-ynyl]-3,5,5-trimethylcyclohex-3-en-1-yl]oxy-tert-butyl-dimethylsilane
CID 10935620
(4-Ethynyl-3,5,5-trimethylcyclohex-3-en-1-yl)oxy-trimethylsilane
CID 19751863
[(1R)-4-ethynyl-3,5,5-trimethylcyclohex-3-en-1-yl]oxy-trimethylsilane
CID 54022486
(1S)-1-tert-butyldimethylsilyloxy-3,4,5,5-tetramethyl-3-cyclohexene
CID 57276695
(2S)-4-[(4R)-4-[tert-butyl(dimethyl)silyl]oxy-2,6,6-trimethylcyclohexen-1-yl]but-3-yn-2-ol
CID 10496113
(2R)-4-[(4R)-4-[tert-butyl(dimethyl)silyl]oxy-2,6,6-trimethylcyclohexen-1-yl]but-3-yn-2-ol
CID 10543874
tert-butyl-dimethyl-[(1R)-3,4,5,5-tetramethylcyclohex-3-en-1-yl]oxysilane
CID 10683366
4-[(4R)-4-[tert-butyl(dimethyl)silyl]oxy-2,6,6-trimethylcyclohexen-1-yl]but-3-yn-2-one
CID 10734502
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
[(1S,2R)-2-but-3-enyl-2-ethynyl-3-methylcyclohex-3-en-1-yl]oxy-tert-butyl-dimethylsilane
CID 56594956

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(1R)-4-ethynyl-3,5,5-trimethylcyclohex-3-en-1-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(1R)-4-ethynyl-3,5,5-trimethylcyclohex-3-en-1-yl]oxy-dimethylsilane (CID 10660274) is tert-butyl-[(1R)-4-ethynyl-3,5,5-trimethylcyclohex-3-en-1-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(1R)-4-ethynyl-3,5,5-trimethylcyclohex-3-en-1-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(1R)-4-ethynyl-3,5,5-trimethylcyclohex-3-en-1-yl]oxy-dimethylsilane is C#CC1=C(C)C[C@@H](O[Si](C)(C)C(C)(C)C)CC1(C)C.
What is the InChIKey of tert-butyl-[(1R)-4-ethynyl-3,5,5-trimethylcyclohex-3-en-1-yl]oxy-dimethylsilane?
The InChIKey is RZBCGAGMXXKISV-CQSZACIVSA-N. The full InChI is InChI=1S/C17H30OSi/c1-10-15-13(2)11-14(12-17(15,6)7)18-19(8,9)16(3,4)5/h1,14H,11-12H2,2-9H3/t14-/m1/s1.
What are the key properties of tert-butyl-[(1R)-4-ethynyl-3,5,5-trimethylcyclohex-3-en-1-yl]oxy-dimethylsilane?
tert-butyl-[(1R)-4-ethynyl-3,5,5-trimethylcyclohex-3-en-1-yl]oxy-dimethylsilane has a molecular weight of 278.51 g/mol, XLogP of 5.15, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(1R)-4-ethynyl-3,5,5-trimethylcyclohex-3-en-1-yl]oxy-dimethylsilane is sourced from PubChem (CID 10660274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).