(1S,4R,5R,8R,10R)-5-[tert-butyl(dimethyl)silyl]oxytricyclo[6.2.1.04,10]undecan-11-one

C17H30O2Si — CID 53348305

IUPAC(1S,4R,5R,8R,10R)-5-[tert-butyl(dimethyl)silyl]oxytricyclo[6.2.1.04,10]undecan-11-one
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1CC[C@@H]2C[C@@H]3[C@H]1CC[C@@H]3C2=O
InChIInChI=1S/C17H30O2Si/c1-17(2,3)20(4,5)19-15-9-6-11-10-14-12(15)7-8-13(14)16(11)18/h11-15H,6-10H2,1-5H3/t11-,12-,13+,14-,15-/m1/s1
InChIKeyDERNLXVCPWCSLG-UXXRCYHCSA-N
MW294.51 g/mol
LogP4.40
Rot. Bonds2

About (1S,4R,5R,8R,10R)-5-[tert-butyl(dimethyl)silyl]oxytricyclo[6.2.1.04,10]undecan-11-one

(1S,4R,5R,8R,10R)-5-[tert-butyl(dimethyl)silyl]oxytricyclo[6.2.1.04,10]undecan-11-one (PubChem CID 53348305) has the molecular formula C17H30O2Si and a molecular weight of 294.51 g/mol. Its IUPAC name is (1S,4R,5R,8R,10R)-5-[tert-butyl(dimethyl)silyl]oxytricyclo[6.2.1.04,10]undecan-11-one.

Molecular Properties

Compound Name(1S,4R,5R,8R,10R)-5-[tert-butyl(dimethyl)silyl]oxytricyclo[6.2.1.04,10]undecan-11-one
PubChem CID53348305
Molecular FormulaC17H30O2Si
Molecular Weight294.51 g/mol
Exact Mass294.20
IUPAC Name(1S,4R,5R,8R,10R)-5-[tert-butyl(dimethyl)silyl]oxytricyclo[6.2.1.04,10]undecan-11-one
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1CC[C@@H]2C[C@@H]3[C@H]1CC[C@@H]3C2=O
InChIInChI=1S/C17H30O2Si/c1-17(2,3)20(4,5)19-15-9-6-11-10-14-12(15)7-8-13(14)16(11)18/h11-15H,6-10H2,1-5H3/t11-,12-,13+,14-,15-/m1/s1
InChIKeyDERNLXVCPWCSLG-UXXRCYHCSA-N
XLogP4.40
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.51
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3R,3aR,8R,8aR)-8-[tert-butyl(dimethyl)silyl]oxy-3-methyl-2,3,3a,4,6,7,8,8a-octahydro-1H-azulen-5-one
CID 11231781
(1R,3aS,5S,6aS)-5-[tert-butyl(dimethyl)silyl]oxy-1-methyl-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-one
CID 45276312
(1S,4R,5R,8R,10R)-5-[tert-butyl(dimethyl)silyl]oxy-11-oxotricyclo[6.2.1.04,10]undecane-1-carbaldehyde
CID 53348304
4-[Tert-butyl(dimethyl)silyl]oxy-2-methyl-2,3,3a,4,5,6,7,7a-octahydroinden-1-one
CID 140476935
(3aS,4S,5R,6aR)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methyl-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-one
CID 157153534
(2R,3R,3aS,8S,8aS)-2-[tert-butyl(dimethyl)silyl]oxy-3,8-dimethyl-2,3,3a,5,6,7,8,8a-octahydro-1H-azulen-4-one
CID 10244907
(2S,3R,3aS,8S,8aS)-2-[tert-butyl(dimethyl)silyl]oxy-3,8-dimethyl-2,3,3a,5,6,7,8,8a-octahydro-1H-azulen-4-one
CID 10470671
(1S,2S,4S,5S,7S,9S)-5-[tert-butyl(dimethyl)silyl]oxy-4-methyltricyclo[5.4.0.02,9]undecan-11-one
CID 11088148
(1R,5R,6R)-6-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-1,4,4-trimethylbicyclo[3.2.0]heptan-3-one
CID 11823067
(3S,3aR,8R,8aS)-3-acetyl-8-tri(propan-2-yl)silyloxy-2,3,3a,4,6,7,8,8a-octahydro-1H-azulen-5-one
CID 12155942
(1S,3R,3aS,6aR)-5-[tert-butyl(dimethyl)silyl]oxy-1,3-dimethyl-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-one
CID 45276310
(1S,2R,4S,5S,7S,9S)-5-[tert-butyl(dimethyl)silyl]oxy-4-methyltricyclo[5.4.0.02,9]undecan-11-one
CID 101144373

Frequently Asked Questions

What is the IUPAC name of (1S,4R,5R,8R,10R)-5-[tert-butyl(dimethyl)silyl]oxytricyclo[6.2.1.04,10]undecan-11-one?
The IUPAC name of (1S,4R,5R,8R,10R)-5-[tert-butyl(dimethyl)silyl]oxytricyclo[6.2.1.04,10]undecan-11-one (CID 53348305) is (1S,4R,5R,8R,10R)-5-[tert-butyl(dimethyl)silyl]oxytricyclo[6.2.1.04,10]undecan-11-one.
What is the SMILES notation for (1S,4R,5R,8R,10R)-5-[tert-butyl(dimethyl)silyl]oxytricyclo[6.2.1.04,10]undecan-11-one?
The canonical SMILES for (1S,4R,5R,8R,10R)-5-[tert-butyl(dimethyl)silyl]oxytricyclo[6.2.1.04,10]undecan-11-one is CC(C)(C)[Si](C)(C)O[C@@H]1CC[C@@H]2C[C@@H]3[C@H]1CC[C@@H]3C2=O.
What is the InChIKey of (1S,4R,5R,8R,10R)-5-[tert-butyl(dimethyl)silyl]oxytricyclo[6.2.1.04,10]undecan-11-one?
The InChIKey is DERNLXVCPWCSLG-UXXRCYHCSA-N. The full InChI is InChI=1S/C17H30O2Si/c1-17(2,3)20(4,5)19-15-9-6-11-10-14-12(15)7-8-13(14)16(11)18/h11-15H,6-10H2,1-5H3/t11-,12-,13+,14-,15-/m1/s1.
What are the key properties of (1S,4R,5R,8R,10R)-5-[tert-butyl(dimethyl)silyl]oxytricyclo[6.2.1.04,10]undecan-11-one?
(1S,4R,5R,8R,10R)-5-[tert-butyl(dimethyl)silyl]oxytricyclo[6.2.1.04,10]undecan-11-one has a molecular weight of 294.51 g/mol, XLogP of 4.40, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4R,5R,8R,10R)-5-[tert-butyl(dimethyl)silyl]oxytricyclo[6.2.1.04,10]undecan-11-one is sourced from PubChem (CID 53348305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).