[(2S,4aR)-4a-methyl-6-methylidene-2,3,4,5,7,8-hexahydronaphthalen-2-yl]oxy-tert-butyl-dimethylsilane

C18H32OSi — CID 101050735

IUPAC[(2S,4aR)-4a-methyl-6-methylidene-2,3,4,5,7,8-hexahydronaphthalen-2-yl]oxy-tert-butyl-dimethylsilane
SMILESC=C1CCC2=C[C@@H](O[Si](C)(C)C(C)(C)C)CC[C@]2(C)C1
InChIInChI=1S/C18H32OSi/c1-14-8-9-15-12-16(10-11-18(15,5)13-14)19-20(6,7)17(2,3)4/h12,16H,1,8-11,13H2,2-7H3/t16-,18+/m0/s1
InChIKeyCKRJQWMIPTXRIJ-FUHWJXTLSA-N
MW292.54 g/mol
LogP5.84
Rot. Bonds2

About [(2S,4aR)-4a-methyl-6-methylidene-2,3,4,5,7,8-hexahydronaphthalen-2-yl]oxy-tert-butyl-dimethylsilane

[(2S,4aR)-4a-methyl-6-methylidene-2,3,4,5,7,8-hexahydronaphthalen-2-yl]oxy-tert-butyl-dimethylsilane (PubChem CID 101050735) has the molecular formula C18H32OSi and a molecular weight of 292.54 g/mol. Its IUPAC name is [(2S,4aR)-4a-methyl-6-methylidene-2,3,4,5,7,8-hexahydronaphthalen-2-yl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(2S,4aR)-4a-methyl-6-methylidene-2,3,4,5,7,8-hexahydronaphthalen-2-yl]oxy-tert-butyl-dimethylsilane
PubChem CID101050735
Molecular FormulaC18H32OSi
Molecular Weight292.54 g/mol
Exact Mass292.22
IUPAC Name[(2S,4aR)-4a-methyl-6-methylidene-2,3,4,5,7,8-hexahydronaphthalen-2-yl]oxy-tert-butyl-dimethylsilane
SMILESC=C1CCC2=C[C@@H](O[Si](C)(C)C(C)(C)C)CC[C@]2(C)C1
InChIInChI=1S/C18H32OSi/c1-14-8-9-15-12-16(10-11-18(15,5)13-14)19-20(6,7)17(2,3)4/h12,16H,1,8-11,13H2,2-7H3/t16-,18+/m0/s1
InChIKeyCKRJQWMIPTXRIJ-FUHWJXTLSA-N
XLogP5.84
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.54
LogP ≤ 55.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2S,4aS,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4a-methyl-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-ol
CID 11426466
(Cyclohexyl(4-fluorocyclohex-3-enyl)methoxy)triethylsilane
CID 131747135
[(1S,7aS)-4,4,7a-trimethyl-2,5,6,7-tetrahydro-1H-inden-1-yl]oxy-tert-butyl-dimethylsilane
CID 10968424
tert-butyl-[(1R,2R)-2-(cyclohexen-1-yl)-2-methylcyclobutyl]oxy-dimethylsilane
CID 11087190
(6S)-6-cyclohexyl-2,2-dimethyl-3,6-dihydrooxasiline
CID 101106396
(6S)-6-cyclohexyl-2,2,5-trimethyl-3,6-dihydrooxasiline
CID 101106397
tert-butyl-dimethyl-[[(1R,2Z,6E,8R)-1-methyl-8-bicyclo[5.3.1]undeca-2,6-dienyl]oxy]silane
CID 101616157
tert-butyl-dimethyl-[[(1R,2Z,6E,8S)-1-methyl-8-bicyclo[5.3.1]undeca-2,6-dienyl]oxy]silane
CID 101616159
[(E,1S)-1-cyclohexyl-2-ethylpent-2-enoxy]-triethylsilane
CID 102515909
[(E,1S)-1-cyclohexylnon-2-enoxy]-triethylsilane
CID 102515912
[(6R)-9-(bromomethylidene)-1,5,5-trimethylspiro[5.5]undeca-1,10-dien-3-yl]oxy-tert-butyl-dimethylsilane
CID 134835260
[(1S,4aR,8S)-2,5-dimethyl-8-propan-2-yl-1,4,4a,7,8,8a-hexahydronaphthalen-1-yl]oxy-tert-butyl-dimethylsilane
CID 134865706

Frequently Asked Questions

What is the IUPAC name of [(2S,4aR)-4a-methyl-6-methylidene-2,3,4,5,7,8-hexahydronaphthalen-2-yl]oxy-tert-butyl-dimethylsilane?
The IUPAC name of [(2S,4aR)-4a-methyl-6-methylidene-2,3,4,5,7,8-hexahydronaphthalen-2-yl]oxy-tert-butyl-dimethylsilane (CID 101050735) is [(2S,4aR)-4a-methyl-6-methylidene-2,3,4,5,7,8-hexahydronaphthalen-2-yl]oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(2S,4aR)-4a-methyl-6-methylidene-2,3,4,5,7,8-hexahydronaphthalen-2-yl]oxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(2S,4aR)-4a-methyl-6-methylidene-2,3,4,5,7,8-hexahydronaphthalen-2-yl]oxy-tert-butyl-dimethylsilane is C=C1CCC2=C[C@@H](O[Si](C)(C)C(C)(C)C)CC[C@]2(C)C1.
What is the InChIKey of [(2S,4aR)-4a-methyl-6-methylidene-2,3,4,5,7,8-hexahydronaphthalen-2-yl]oxy-tert-butyl-dimethylsilane?
The InChIKey is CKRJQWMIPTXRIJ-FUHWJXTLSA-N. The full InChI is InChI=1S/C18H32OSi/c1-14-8-9-15-12-16(10-11-18(15,5)13-14)19-20(6,7)17(2,3)4/h12,16H,1,8-11,13H2,2-7H3/t16-,18+/m0/s1.
What are the key properties of [(2S,4aR)-4a-methyl-6-methylidene-2,3,4,5,7,8-hexahydronaphthalen-2-yl]oxy-tert-butyl-dimethylsilane?
[(2S,4aR)-4a-methyl-6-methylidene-2,3,4,5,7,8-hexahydronaphthalen-2-yl]oxy-tert-butyl-dimethylsilane has a molecular weight of 292.54 g/mol, XLogP of 5.84, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4aR)-4a-methyl-6-methylidene-2,3,4,5,7,8-hexahydronaphthalen-2-yl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 101050735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).