[(1S,4aS,8aS)-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]methoxy-tert-butyl-dimethylsilane

C21H40OSi — CID 11427684

IUPAC[(1S,4aS,8aS)-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]methoxy-tert-butyl-dimethylsilane
SMILESCC1=CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H40OSi/c1-16-11-12-18-20(5,6)13-10-14-21(18,7)17(16)15-22-23(8,9)19(2,3)4/h11,17-18H,10,12-15H2,1-9H3/t17-,18-,21+/m0/s1
InChIKeySUBFWBDUKYQKQF-BBTUJRGHSA-N
MW336.64 g/mol
LogP6.81
Rot. Bonds3

About [(1S,4aS,8aS)-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]methoxy-tert-butyl-dimethylsilane

[(1S,4aS,8aS)-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]methoxy-tert-butyl-dimethylsilane (PubChem CID 11427684) has the molecular formula C21H40OSi and a molecular weight of 336.64 g/mol. Its IUPAC name is [(1S,4aS,8aS)-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]methoxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(1S,4aS,8aS)-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]methoxy-tert-butyl-dimethylsilane
PubChem CID11427684
Molecular FormulaC21H40OSi
Molecular Weight336.64 g/mol
Exact Mass336.28
IUPAC Name[(1S,4aS,8aS)-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]methoxy-tert-butyl-dimethylsilane
SMILESCC1=CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H40OSi/c1-16-11-12-18-20(5,6)13-10-14-21(18,7)17(16)15-22-23(8,9)19(2,3)4/h11,17-18H,10,12-15H2,1-9H3/t17-,18-,21+/m0/s1
InChIKeySUBFWBDUKYQKQF-BBTUJRGHSA-N
XLogP6.81
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.64
LogP ≤ 56.81
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

3-[(1R,4aR,5S,6S)-1,5,6-trimethyl-5-[2-tri(propan-2-yl)silyloxyethyl]-2,3,4,4a,6,7-hexahydronaphthalen-1-yl]propan-1-ol
CID 10717812
Tert-butyl-[2-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)ethoxy]-dimethylsilane
CID 12164613
Tert-butyl-[2-(2,2-dimethyl-6-methylidenecyclohexyl)ethoxy]-dimethylsilane
CID 14563308
[(1S,4aR,6S,8aS)-1,6-dimethyl-2-trimethylsilyloxy-4a,5,6,7,8,8a-hexahydro-4H-naphthalen-1-yl]methoxy-trimethylsilane
CID 71559952
[(4aS,5R,8aS)-4a,5-dimethyl-4,5,6,7,8,8a-hexahydro-1H-naphthalen-2-yl]oxy-trimethylsilane
CID 134901464
[(3aS,5R,7aS)-7a-methyl-5-prop-1-en-2-yl-4,5,6,7-tetrahydro-1H-inden-3a-yl]methoxy-tri(propan-2-yl)silane
CID 134945478
[(5S,6R,9S,10R)-3,6-dimethyl-9-propan-2-ylspiro[4.5]dec-3-en-10-yl]oxy-triethylsilane
CID 135019405
tert-butyl-dimethyl-[(5R)-5-methyl-5-[(E)-2-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]ethenyl]non-8-enoxy]silane
CID 139263604
[(2S,4aR,8aR)-1,1,4a-trimethyl-6-(2-trimethylsilylethynyl)-2,3,4,7,8,8a-hexahydronaphthalen-2-yl]oxy-tert-butyl-dimethylsilane
CID 155933466
5,16-Androstadien-3-beta-ol, TMS
CID 6427798
11-epi-Eudesma-4(15),7-dien-12-yl methyl ether
CID 91747498
4betaH,5alpha-Eremophil-1(10)-ene, 11-(trimethylsiloxy)-
CID 552428

Frequently Asked Questions

What is the IUPAC name of [(1S,4aS,8aS)-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]methoxy-tert-butyl-dimethylsilane?
The IUPAC name of [(1S,4aS,8aS)-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]methoxy-tert-butyl-dimethylsilane (CID 11427684) is [(1S,4aS,8aS)-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]methoxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(1S,4aS,8aS)-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]methoxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(1S,4aS,8aS)-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]methoxy-tert-butyl-dimethylsilane is CC1=CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(1S,4aS,8aS)-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]methoxy-tert-butyl-dimethylsilane?
The InChIKey is SUBFWBDUKYQKQF-BBTUJRGHSA-N. The full InChI is InChI=1S/C21H40OSi/c1-16-11-12-18-20(5,6)13-10-14-21(18,7)17(16)15-22-23(8,9)19(2,3)4/h11,17-18H,10,12-15H2,1-9H3/t17-,18-,21+/m0/s1.
What are the key properties of [(1S,4aS,8aS)-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]methoxy-tert-butyl-dimethylsilane?
[(1S,4aS,8aS)-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]methoxy-tert-butyl-dimethylsilane has a molecular weight of 336.64 g/mol, XLogP of 6.81, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,4aS,8aS)-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]methoxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 11427684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).