[(2R,4aS)-2-deuterio-2,3,4,4a,5,6,7,8-octahydronaphthalen-1-yl]oxy-tert-butyl-dimethylsilane

C16H30OSi — CID 10778262

IUPAC[(2R,4aS)-2-deuterio-2,3,4,4a,5,6,7,8-octahydronaphthalen-1-yl]oxy-tert-butyl-dimethylsilane
SMILES[2H][C@@H]1CC[C@@H]2CCCCC2=C1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H30OSi/c1-16(2,3)18(4,5)17-15-12-8-10-13-9-6-7-11-14(13)15/h13H,6-12H2,1-5H3/t13-/m0/s1/i12D/t12-,13+/m1
InChIKeyFCOHUWVEYJHINF-GSKZYWRZSA-N
MW267.51 g/mol
LogP5.64
Rot. Bonds2

About [(2R,4aS)-2-deuterio-2,3,4,4a,5,6,7,8-octahydronaphthalen-1-yl]oxy-tert-butyl-dimethylsilane

[(2R,4aS)-2-deuterio-2,3,4,4a,5,6,7,8-octahydronaphthalen-1-yl]oxy-tert-butyl-dimethylsilane (PubChem CID 10778262) has the molecular formula C16H30OSi and a molecular weight of 267.51 g/mol. Its IUPAC name is [(2R,4aS)-2-deuterio-2,3,4,4a,5,6,7,8-octahydronaphthalen-1-yl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(2R,4aS)-2-deuterio-2,3,4,4a,5,6,7,8-octahydronaphthalen-1-yl]oxy-tert-butyl-dimethylsilane
PubChem CID10778262
Molecular FormulaC16H30OSi
Molecular Weight267.51 g/mol
Exact Mass267.21
IUPAC Name[(2R,4aS)-2-deuterio-2,3,4,4a,5,6,7,8-octahydronaphthalen-1-yl]oxy-tert-butyl-dimethylsilane
SMILES[2H][C@@H]1CC[C@@H]2CCCCC2=C1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H30OSi/c1-16(2,3)18(4,5)17-15-12-8-10-13-9-6-7-11-14(13)15/h13H,6-12H2,1-5H3/t13-/m0/s1/i12D/t12-,13+/m1
InChIKeyFCOHUWVEYJHINF-GSKZYWRZSA-N
XLogP5.64
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500267.51
LogP ≤ 55.64
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

[(3S,5R)-3-buta-2,3-dien-2-yl-2-methyl-5-prop-1-en-2-ylcyclohexen-1-yl]oxy-tert-butyl-dimethylsilane
CID 11244074
Trimethyl-[2-methyl-3-(4-trimethylsilylbut-3-ynyl)cyclohexen-1-yl]oxysilane
CID 14635035
[(3S,6S)-3-butyl-2-methyl-6-triethylsilylcyclohexen-1-yl]oxy-trimethylsilane
CID 134939335
3,4,4a,5,6,7,8,8a-Octahydronaphthalen-1-yloxy-tri(propan-2-yl)silane
CID 134969130
(3-But-3-enylcyclohexen-1-yl)oxy-tert-butyl-dimethylsilane
CID 10706895
(2-Cyclohexyl-1-cyclohexylideneethoxy)-trimethylsilane
CID 10779162
[3-[2-(Cyclohexen-1-yl)ethyl]cyclohexen-1-yl]oxy-trimethylsilane
CID 10826486
[(3R)-2,3-dimethylcyclohexen-1-yl]oxy-trimethylsilane
CID 10965504
Triethyl[(2,3,5,6,7,7a-hexahydro-1H-inden-4-yl)oxy]silane
CID 12749332
(3-Butylcyclohexen-1-yl)oxy-triethylsilane
CID 15254772
2,3,4,4a,5,6-Hexahydronaphthalen-1-yloxy-tri(propan-2-yl)silane
CID 86071880
Silane, [(2,3-dimethyl-1-cyclohexen-1-yl)oxy]trimethyl-
CID 10081465

Frequently Asked Questions

What is the IUPAC name of [(2R,4aS)-2-deuterio-2,3,4,4a,5,6,7,8-octahydronaphthalen-1-yl]oxy-tert-butyl-dimethylsilane?
The IUPAC name of [(2R,4aS)-2-deuterio-2,3,4,4a,5,6,7,8-octahydronaphthalen-1-yl]oxy-tert-butyl-dimethylsilane (CID 10778262) is [(2R,4aS)-2-deuterio-2,3,4,4a,5,6,7,8-octahydronaphthalen-1-yl]oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(2R,4aS)-2-deuterio-2,3,4,4a,5,6,7,8-octahydronaphthalen-1-yl]oxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(2R,4aS)-2-deuterio-2,3,4,4a,5,6,7,8-octahydronaphthalen-1-yl]oxy-tert-butyl-dimethylsilane is [2H][C@@H]1CC[C@@H]2CCCCC2=C1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(2R,4aS)-2-deuterio-2,3,4,4a,5,6,7,8-octahydronaphthalen-1-yl]oxy-tert-butyl-dimethylsilane?
The InChIKey is FCOHUWVEYJHINF-GSKZYWRZSA-N. The full InChI is InChI=1S/C16H30OSi/c1-16(2,3)18(4,5)17-15-12-8-10-13-9-6-7-11-14(13)15/h13H,6-12H2,1-5H3/t13-/m0/s1/i12D/t12-,13+/m1.
What are the key properties of [(2R,4aS)-2-deuterio-2,3,4,4a,5,6,7,8-octahydronaphthalen-1-yl]oxy-tert-butyl-dimethylsilane?
[(2R,4aS)-2-deuterio-2,3,4,4a,5,6,7,8-octahydronaphthalen-1-yl]oxy-tert-butyl-dimethylsilane has a molecular weight of 267.51 g/mol, XLogP of 5.64, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,4aS)-2-deuterio-2,3,4,4a,5,6,7,8-octahydronaphthalen-1-yl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 10778262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).