[(4R,4aS)-4,4a-dimethyl-3,4,5,6-tetrahydro-2H-naphthalen-2-yl]oxy-tert-butyl-dimethylsilane

C18H32OSi — CID 150996593

IUPAC[(4R,4aS)-4,4a-dimethyl-3,4,5,6-tetrahydro-2H-naphthalen-2-yl]oxy-tert-butyl-dimethylsilane
SMILESC[C@@H]1CC(O[Si](C)(C)C(C)(C)C)C=C2C=CCC[C@]21C
InChIInChI=1S/C18H32OSi/c1-14-12-16(19-20(6,7)17(2,3)4)13-15-10-8-9-11-18(14,15)5/h8,10,13-14,16H,9,11-12H2,1-7H3/t14-,16?,18+/m1/s1
InChIKeyLTFNUJOKNOOMDI-ZRFIFAGDSA-N
MW292.54 g/mol
LogP5.70
Rot. Bonds2

About [(4R,4aS)-4,4a-dimethyl-3,4,5,6-tetrahydro-2H-naphthalen-2-yl]oxy-tert-butyl-dimethylsilane

[(4R,4aS)-4,4a-dimethyl-3,4,5,6-tetrahydro-2H-naphthalen-2-yl]oxy-tert-butyl-dimethylsilane (PubChem CID 150996593) has the molecular formula C18H32OSi and a molecular weight of 292.54 g/mol. Its IUPAC name is [(4R,4aS)-4,4a-dimethyl-3,4,5,6-tetrahydro-2H-naphthalen-2-yl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(4R,4aS)-4,4a-dimethyl-3,4,5,6-tetrahydro-2H-naphthalen-2-yl]oxy-tert-butyl-dimethylsilane
PubChem CID150996593
Molecular FormulaC18H32OSi
Molecular Weight292.54 g/mol
Exact Mass292.22
IUPAC Name[(4R,4aS)-4,4a-dimethyl-3,4,5,6-tetrahydro-2H-naphthalen-2-yl]oxy-tert-butyl-dimethylsilane
SMILESC[C@@H]1CC(O[Si](C)(C)C(C)(C)C)C=C2C=CCC[C@]21C
InChIInChI=1S/C18H32OSi/c1-14-12-16(19-20(6,7)17(2,3)4)13-15-10-8-9-11-18(14,15)5/h8,10,13-14,16H,9,11-12H2,1-7H3/t14-,16?,18+/m1/s1
InChIKeyLTFNUJOKNOOMDI-ZRFIFAGDSA-N
XLogP5.70
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 ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(4R,4aS)-4,4a-dimethyl-3,4,5,6-tetrahydro-2H-naphthalen-2-yl]oxy-tert-butyl-dimethylsilane?
The IUPAC name of [(4R,4aS)-4,4a-dimethyl-3,4,5,6-tetrahydro-2H-naphthalen-2-yl]oxy-tert-butyl-dimethylsilane (CID 150996593) is [(4R,4aS)-4,4a-dimethyl-3,4,5,6-tetrahydro-2H-naphthalen-2-yl]oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(4R,4aS)-4,4a-dimethyl-3,4,5,6-tetrahydro-2H-naphthalen-2-yl]oxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(4R,4aS)-4,4a-dimethyl-3,4,5,6-tetrahydro-2H-naphthalen-2-yl]oxy-tert-butyl-dimethylsilane is C[C@@H]1CC(O[Si](C)(C)C(C)(C)C)C=C2C=CCC[C@]21C.
What is the InChIKey of [(4R,4aS)-4,4a-dimethyl-3,4,5,6-tetrahydro-2H-naphthalen-2-yl]oxy-tert-butyl-dimethylsilane?
The InChIKey is LTFNUJOKNOOMDI-ZRFIFAGDSA-N. The full InChI is InChI=1S/C18H32OSi/c1-14-12-16(19-20(6,7)17(2,3)4)13-15-10-8-9-11-18(14,15)5/h8,10,13-14,16H,9,11-12H2,1-7H3/t14-,16?,18+/m1/s1.
What are the key properties of [(4R,4aS)-4,4a-dimethyl-3,4,5,6-tetrahydro-2H-naphthalen-2-yl]oxy-tert-butyl-dimethylsilane?
[(4R,4aS)-4,4a-dimethyl-3,4,5,6-tetrahydro-2H-naphthalen-2-yl]oxy-tert-butyl-dimethylsilane has a molecular weight of 292.54 g/mol, XLogP of 5.70, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R,4aS)-4,4a-dimethyl-3,4,5,6-tetrahydro-2H-naphthalen-2-yl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 150996593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).