tert-butyl-[(1S)-3-ethenyl-2,2-dimethylcyclohex-3-en-1-yl]oxy-dimethylsilane

C16H30OSi — CID 11149799

IUPACtert-butyl-[(1S)-3-ethenyl-2,2-dimethylcyclohex-3-en-1-yl]oxy-dimethylsilane
SMILESC=CC1=CCC[C@H](O[Si](C)(C)C(C)(C)C)C1(C)C
InChIInChI=1S/C16H30OSi/c1-9-13-11-10-12-14(16(13,5)6)17-18(7,8)15(2,3)4/h9,11,14H,1,10,12H2,2-8H3/t14-/m0/s1
InChIKeyFKRXJPLNIXGSGV-AWEZNQCLSA-N
MW266.50 g/mol
LogP5.31
Rot. Bonds3

About tert-butyl-[(1S)-3-ethenyl-2,2-dimethylcyclohex-3-en-1-yl]oxy-dimethylsilane

tert-butyl-[(1S)-3-ethenyl-2,2-dimethylcyclohex-3-en-1-yl]oxy-dimethylsilane (PubChem CID 11149799) has the molecular formula C16H30OSi and a molecular weight of 266.50 g/mol. Its IUPAC name is tert-butyl-[(1S)-3-ethenyl-2,2-dimethylcyclohex-3-en-1-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(1S)-3-ethenyl-2,2-dimethylcyclohex-3-en-1-yl]oxy-dimethylsilane
PubChem CID11149799
Molecular FormulaC16H30OSi
Molecular Weight266.50 g/mol
Exact Mass266.21
IUPAC Nametert-butyl-[(1S)-3-ethenyl-2,2-dimethylcyclohex-3-en-1-yl]oxy-dimethylsilane
SMILESC=CC1=CCC[C@H](O[Si](C)(C)C(C)(C)C)C1(C)C
InChIInChI=1S/C16H30OSi/c1-9-13-11-10-12-14(16(13,5)6)17-18(7,8)15(2,3)4/h9,11,14H,1,10,12H2,2-8H3/t14-/m0/s1
InChIKeyFKRXJPLNIXGSGV-AWEZNQCLSA-N
XLogP5.31
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.50
LogP ≤ 55.31
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

Silane, [[3,7-dimethyl-9-(2,6,6-trimethyl-2-cyclohexen-1-ylidene)-3,5,7-nonatrienyl]oxy]trimethyl-
CID 5366798
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tert-butyl-[[(10Z)-7,7-dimethyl-4-bicyclo[9.4.0]pentadeca-1(15),10-dien-2,8-diynyl]oxy]-dimethylsilane
CID 10808070
[(4aZ)-8,8-dimethyl-6,7,11,12-tetradehydro-3,4,9,10-tetrahydro-2H-benzo[10]annulen-10-yl]oxy-tert-butyl-dimethylsilane
CID 10831057
Tert-butyl-(2-ethenyl-5,5-dimethylcyclopent-2-en-1-yl)oxy-dimethylsilane
CID 14931224
Tert-butyl-(3-ethenyl-5,5-dimethylcyclopent-2-en-1-yl)oxy-dimethylsilane
CID 14931225
tert-butyl-[[(1R)-3-ethenylcyclohex-3-en-1-yl]methoxy]-dimethylsilane
CID 16220312
Tert-butyl-[(4-hexyl-1,5-dimethylcyclohexa-2,4-dien-1-yl)methoxy]-dimethylsilane
CID 101400085
Tert-butyl-[(1,5-dimethylcyclohexa-2,4-dien-1-yl)methoxy]-dimethylsilane
CID 101400087
[(1S,6S)-6-but-3-enylcyclohex-3-en-1-yl]oxy-tert-butyl-dimethylsilane
CID 134999883
t-Butyl-dimethyl-[4-(2,6,6-trimethyl-cyclohex-2-enyl)-buta-1,3-dienyloxy]-silane
CID 5366890
Silane, (1,1-dimethylethyl)dimethyl[[2-methyl-3-(2,6,6-trimethyl-2-cyclohexen-1-ylidene)-1-propenyl]oxy]-
CID 5366892

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(1S)-3-ethenyl-2,2-dimethylcyclohex-3-en-1-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(1S)-3-ethenyl-2,2-dimethylcyclohex-3-en-1-yl]oxy-dimethylsilane (CID 11149799) is tert-butyl-[(1S)-3-ethenyl-2,2-dimethylcyclohex-3-en-1-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(1S)-3-ethenyl-2,2-dimethylcyclohex-3-en-1-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(1S)-3-ethenyl-2,2-dimethylcyclohex-3-en-1-yl]oxy-dimethylsilane is C=CC1=CCC[C@H](O[Si](C)(C)C(C)(C)C)C1(C)C.
What is the InChIKey of tert-butyl-[(1S)-3-ethenyl-2,2-dimethylcyclohex-3-en-1-yl]oxy-dimethylsilane?
The InChIKey is FKRXJPLNIXGSGV-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H30OSi/c1-9-13-11-10-12-14(16(13,5)6)17-18(7,8)15(2,3)4/h9,11,14H,1,10,12H2,2-8H3/t14-/m0/s1.
What are the key properties of tert-butyl-[(1S)-3-ethenyl-2,2-dimethylcyclohex-3-en-1-yl]oxy-dimethylsilane?
tert-butyl-[(1S)-3-ethenyl-2,2-dimethylcyclohex-3-en-1-yl]oxy-dimethylsilane has a molecular weight of 266.50 g/mol, XLogP of 5.31, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(1S)-3-ethenyl-2,2-dimethylcyclohex-3-en-1-yl]oxy-dimethylsilane is sourced from PubChem (CID 11149799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).