(1R,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-1,5-dimethyl-8-oxabicyclo[3.2.1]octan-6-one

C15H28O3Si — CID 10755508

IUPAC(1R,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-1,5-dimethyl-8-oxabicyclo[3.2.1]octan-6-one
SMILESCC(C)(C)[Si](C)(C)O[C@H]1CC[C@]2(C)CC(=O)[C@@]1(C)O2
InChIInChI=1S/C15H28O3Si/c1-13(2,3)19(6,7)17-12-8-9-14(4)10-11(16)15(12,5)18-14/h12H,8-10H2,1-7H3/t12-,14+,15+/m0/s1
InChIKeyCSXPWXASRPIWCP-NWANDNLSSA-N
MW284.47 g/mol
LogP3.68
Rot. Bonds2

About (1R,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-1,5-dimethyl-8-oxabicyclo[3.2.1]octan-6-one

(1R,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-1,5-dimethyl-8-oxabicyclo[3.2.1]octan-6-one (PubChem CID 10755508) has the molecular formula C15H28O3Si and a molecular weight of 284.47 g/mol. Its IUPAC name is (1R,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-1,5-dimethyl-8-oxabicyclo[3.2.1]octan-6-one.

Molecular Properties

Compound Name(1R,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-1,5-dimethyl-8-oxabicyclo[3.2.1]octan-6-one
PubChem CID10755508
Molecular FormulaC15H28O3Si
Molecular Weight284.47 g/mol
Exact Mass284.18
IUPAC Name(1R,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-1,5-dimethyl-8-oxabicyclo[3.2.1]octan-6-one
SMILESCC(C)(C)[Si](C)(C)O[C@H]1CC[C@]2(C)CC(=O)[C@@]1(C)O2
InChIInChI=1S/C15H28O3Si/c1-13(2,3)19(6,7)17-12-8-9-14(4)10-11(16)15(12,5)18-14/h12H,8-10H2,1-7H3/t12-,14+,15+/m0/s1
InChIKeyCSXPWXASRPIWCP-NWANDNLSSA-N
XLogP3.68
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.47
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(6R,8aS)-6-[tert-butyl(dimethyl)silyl]oxy-5,5,8a-trimethyl-3,4,4a,6,7,8-hexahydro-2H-naphthalen-1-one
CID 132820482
(1S,3S,6R,7R,11S)-3-[tert-butyl(dimethyl)silyl]oxy-11-hydroxy-2,2,6-trimethyltricyclo[5.2.2.01,6]undecan-9-one
CID 21457240
[(3aR,4R,7aS)-1,2,3a,7,7,7a-hexamethyl-3,4,5,6-tetrahydroinden-4-yl]oxy-tert-butyl-dimethylsilane
CID 15459977
9-[tert-butyl(dimethyl)silyl]oxyspiro[4.4]nonan-4-one
CID 10445764
(4S,5R,9S)-9-[tert-butyl(dimethyl)silyl]oxy-4-hydroxyspiro[4.4]nonan-2-one
CID 11335113
(4S,5S,9R)-4,9-bis[[tert-butyl(dimethyl)silyl]oxy]spiro[4.4]nonan-2-one
CID 11315513
(1S,3aR,7aS)-1-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-one
CID 11369575
tert-butyl-dimethyl-[[(1S,2R,5S)-1-methyl-6-oxabicyclo[3.1.0]hexan-2-yl]oxy]silane
CID 102406518
4-[tert-butyl(dimethyl)silyl]oxyspiro[4.5]decan-8-one
CID 90036942
(5S,9S)-9-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydroxyspiro[4.4]nonan-2-one
CID 134971127
methyl (4aR,6S,8aS)-6-[tert-butyl(dimethyl)silyl]oxy-5,5,8a-trimethyl-1-oxo-4a-trimethylsilyloxy-2,3,4,6,7,8-hexahydronaphthalene-2-carboxylate
CID 135016816
(1S,3aR,4R,7aS)-1-[tert-butyl(dimethyl)silyl]oxy-4-ethenyl-4,7a-dimethyl-1,2,3,3a,6,7-hexahydroinden-5-one
CID 58379387

Frequently Asked Questions

What is the IUPAC name of (1R,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-1,5-dimethyl-8-oxabicyclo[3.2.1]octan-6-one?
The IUPAC name of (1R,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-1,5-dimethyl-8-oxabicyclo[3.2.1]octan-6-one (CID 10755508) is (1R,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-1,5-dimethyl-8-oxabicyclo[3.2.1]octan-6-one.
What is the SMILES notation for (1R,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-1,5-dimethyl-8-oxabicyclo[3.2.1]octan-6-one?
The canonical SMILES for (1R,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-1,5-dimethyl-8-oxabicyclo[3.2.1]octan-6-one is CC(C)(C)[Si](C)(C)O[C@H]1CC[C@]2(C)CC(=O)[C@@]1(C)O2.
What is the InChIKey of (1R,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-1,5-dimethyl-8-oxabicyclo[3.2.1]octan-6-one?
The InChIKey is CSXPWXASRPIWCP-NWANDNLSSA-N. The full InChI is InChI=1S/C15H28O3Si/c1-13(2,3)19(6,7)17-12-8-9-14(4)10-11(16)15(12,5)18-14/h12H,8-10H2,1-7H3/t12-,14+,15+/m0/s1.
What are the key properties of (1R,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-1,5-dimethyl-8-oxabicyclo[3.2.1]octan-6-one?
(1R,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-1,5-dimethyl-8-oxabicyclo[3.2.1]octan-6-one has a molecular weight of 284.47 g/mol, XLogP of 3.68, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-1,5-dimethyl-8-oxabicyclo[3.2.1]octan-6-one is sourced from PubChem (CID 10755508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).