[(1R,8aR)-3,3,8a-trimethyl-1,2,4,6,7,8-hexahydronaphthalen-1-yl]oxy-tert-butyl-dimethylsilane

C19H36OSi — CID 11722835

IUPAC[(1R,8aR)-3,3,8a-trimethyl-1,2,4,6,7,8-hexahydronaphthalen-1-yl]oxy-tert-butyl-dimethylsilane
SMILESCC1(C)CC2=CCCC[C@@]2(C)[C@H](O[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C19H36OSi/c1-17(2,3)21(7,8)20-16-14-18(4,5)13-15-11-9-10-12-19(15,16)6/h11,16H,9-10,12-14H2,1-8H3/t16-,19-/m1/s1
InChIKeyAUORUUUOBDHKAQ-VQIMIIECSA-N
MW308.58 g/mol
LogP6.31
Rot. Bonds2

About [(1R,8aR)-3,3,8a-trimethyl-1,2,4,6,7,8-hexahydronaphthalen-1-yl]oxy-tert-butyl-dimethylsilane

[(1R,8aR)-3,3,8a-trimethyl-1,2,4,6,7,8-hexahydronaphthalen-1-yl]oxy-tert-butyl-dimethylsilane (PubChem CID 11722835) has the molecular formula C19H36OSi and a molecular weight of 308.58 g/mol. Its IUPAC name is [(1R,8aR)-3,3,8a-trimethyl-1,2,4,6,7,8-hexahydronaphthalen-1-yl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(1R,8aR)-3,3,8a-trimethyl-1,2,4,6,7,8-hexahydronaphthalen-1-yl]oxy-tert-butyl-dimethylsilane
PubChem CID11722835
Molecular FormulaC19H36OSi
Molecular Weight308.58 g/mol
Exact Mass308.25
IUPAC Name[(1R,8aR)-3,3,8a-trimethyl-1,2,4,6,7,8-hexahydronaphthalen-1-yl]oxy-tert-butyl-dimethylsilane
SMILESCC1(C)CC2=CCCC[C@@]2(C)[C@H](O[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C19H36OSi/c1-17(2,3)21(7,8)20-16-14-18(4,5)13-15-11-9-10-12-19(15,16)6/h11,16H,9-10,12-14H2,1-8H3/t16-,19-/m1/s1
InChIKeyAUORUUUOBDHKAQ-VQIMIIECSA-N
XLogP6.31
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.58
LogP ≤ 56.31
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

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CID 102085280
tert-butyl-[[(1S,2S,4S,5S)-4-[(3S)-3,7-dimethyloct-6-enyl]-4,6,6-trimethyl-2-bicyclo[3.1.1]heptanyl]oxy]-dimethylsilane
CID 134865393
[(4aS)-3-[tert-butyl(dimethyl)silyl]oxy-4a-ethenyl-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-yl]oxy-tert-butyl-dimethylsilane
CID 134983004
[(5S,6R,9S,10R)-3,6-dimethyl-9-propan-2-ylspiro[4.5]dec-3-en-10-yl]oxy-triethylsilane
CID 135019405
[(1S,4aS,8aS)-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]methoxy-tert-butyl-dimethylsilane
CID 11427684
tert-butyl-[1-cyclohexyl-3-[(4S,5R)-5-methyl-5-prop-2-enyl-4-triethylsilyloxycyclopenten-1-yl]propoxy]-dimethylsilane
CID 18636587
CID 18709860
CID 18709860
(S)-2-[(4aR,5S,8aS)-5-(tert-butyldimethyl-silanyloxy)-8a-methyl-3,4,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]-propan-1-ol
CID 21309369
[(1S,4aS,8aR)-5-[(2R)-5,5-dibromopent-4-en-2-yl]-4a-methyl-2,3,4,7,8,8a-hexahydro-1H-naphthalen-1-yl]oxy-tert-butyl-dimethylsilane
CID 57079476
Butyl-[(5-ethylidene-4a-methyl-1,2,3,4,6,7,8,8a-octahydronaphthalen-1-yl)oxy]-dimethylsilane
CID 57165414
(1S,4aS,8aR)-tert-Butyl-(5-ethylidene-4a-methyl-decahydro-naphtalen-1-yloxy)-dimethyl-silane
CID 57178905

Frequently Asked Questions

What is the IUPAC name of [(1R,8aR)-3,3,8a-trimethyl-1,2,4,6,7,8-hexahydronaphthalen-1-yl]oxy-tert-butyl-dimethylsilane?
The IUPAC name of [(1R,8aR)-3,3,8a-trimethyl-1,2,4,6,7,8-hexahydronaphthalen-1-yl]oxy-tert-butyl-dimethylsilane (CID 11722835) is [(1R,8aR)-3,3,8a-trimethyl-1,2,4,6,7,8-hexahydronaphthalen-1-yl]oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(1R,8aR)-3,3,8a-trimethyl-1,2,4,6,7,8-hexahydronaphthalen-1-yl]oxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(1R,8aR)-3,3,8a-trimethyl-1,2,4,6,7,8-hexahydronaphthalen-1-yl]oxy-tert-butyl-dimethylsilane is CC1(C)CC2=CCCC[C@@]2(C)[C@H](O[Si](C)(C)C(C)(C)C)C1.
What is the InChIKey of [(1R,8aR)-3,3,8a-trimethyl-1,2,4,6,7,8-hexahydronaphthalen-1-yl]oxy-tert-butyl-dimethylsilane?
The InChIKey is AUORUUUOBDHKAQ-VQIMIIECSA-N. The full InChI is InChI=1S/C19H36OSi/c1-17(2,3)21(7,8)20-16-14-18(4,5)13-15-11-9-10-12-19(15,16)6/h11,16H,9-10,12-14H2,1-8H3/t16-,19-/m1/s1.
What are the key properties of [(1R,8aR)-3,3,8a-trimethyl-1,2,4,6,7,8-hexahydronaphthalen-1-yl]oxy-tert-butyl-dimethylsilane?
[(1R,8aR)-3,3,8a-trimethyl-1,2,4,6,7,8-hexahydronaphthalen-1-yl]oxy-tert-butyl-dimethylsilane has a molecular weight of 308.58 g/mol, XLogP of 6.31, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,8aR)-3,3,8a-trimethyl-1,2,4,6,7,8-hexahydronaphthalen-1-yl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 11722835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).