(4R)-4-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydro-2H-naphthalen-1-one

C16H24O2Si — CID 11254404

IUPAC(4R)-4-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydro-2H-naphthalen-1-one
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1CCC(=O)c2ccccc21
InChIInChI=1S/C16H24O2Si/c1-16(2,3)19(4,5)18-15-11-10-14(17)12-8-6-7-9-13(12)15/h6-9,15H,10-11H2,1-5H3/t15-/m1/s1
InChIKeyNPYIZHPGAMMSDE-OAHLLOKOSA-N
MW276.45 g/mol
LogP4.73
Rot. Bonds2

About (4R)-4-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydro-2H-naphthalen-1-one

(4R)-4-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 11254404) has the molecular formula C16H24O2Si and a molecular weight of 276.45 g/mol. Its IUPAC name is (4R)-4-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name(4R)-4-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydro-2H-naphthalen-1-one
PubChem CID11254404
Molecular FormulaC16H24O2Si
Molecular Weight276.45 g/mol
Exact Mass276.15
IUPAC Name(4R)-4-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydro-2H-naphthalen-1-one
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1CCC(=O)c2ccccc21
InChIInChI=1S/C16H24O2Si/c1-16(2,3)19(4,5)18-15-11-10-14(17)12-8-6-7-9-13(12)15/h6-9,15H,10-11H2,1-5H3/t15-/m1/s1
InChIKeyNPYIZHPGAMMSDE-OAHLLOKOSA-N
XLogP4.73
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.45
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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)-4-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of (4R)-4-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydro-2H-naphthalen-1-one (CID 11254404) is (4R)-4-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydro-2H-naphthalen-1-one.
What is the SMILES notation for (4R)-4-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for (4R)-4-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydro-2H-naphthalen-1-one is CC(C)(C)[Si](C)(C)O[C@@H]1CCC(=O)c2ccccc21.
What is the InChIKey of (4R)-4-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is NPYIZHPGAMMSDE-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H24O2Si/c1-16(2,3)19(4,5)18-15-11-10-14(17)12-8-6-7-9-13(12)15/h6-9,15H,10-11H2,1-5H3/t15-/m1/s1.
What are the key properties of (4R)-4-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydro-2H-naphthalen-1-one?
(4R)-4-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydro-2H-naphthalen-1-one has a molecular weight of 276.45 g/mol, XLogP of 4.73, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 11254404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).