9-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-8-hexylbicyclo[4.3.1]dec-6-ene-2,10-dione

C24H42O3Si — CID 135068870

IUPAC9-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-8-hexylbicyclo[4.3.1]dec-6-ene-2,10-dione
SMILESCCCCCCC1C=C2CCCC(=O)C(C2=O)C1CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C24H42O3Si/c1-7-8-9-10-12-18-17-19-13-11-14-21(25)22(23(19)26)20(18)15-16-27-28(5,6)24(2,3)4/h17-18,20,22H,7-16H2,1-6H3
InChIKeyNUTAZJYNXKMPSU-UHFFFAOYSA-N
MW406.68 g/mol
LogP6.48
Rot. Bonds9

About 9-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-8-hexylbicyclo[4.3.1]dec-6-ene-2,10-dione

9-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-8-hexylbicyclo[4.3.1]dec-6-ene-2,10-dione (PubChem CID 135068870) has the molecular formula C24H42O3Si and a molecular weight of 406.68 g/mol. Its IUPAC name is 9-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-8-hexylbicyclo[4.3.1]dec-6-ene-2,10-dione.

Molecular Properties

Compound Name9-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-8-hexylbicyclo[4.3.1]dec-6-ene-2,10-dione
PubChem CID135068870
Molecular FormulaC24H42O3Si
Molecular Weight406.68 g/mol
Exact Mass406.29
IUPAC Name9-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-8-hexylbicyclo[4.3.1]dec-6-ene-2,10-dione
SMILESCCCCCCC1C=C2CCCC(=O)C(C2=O)C1CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C24H42O3Si/c1-7-8-9-10-12-18-17-19-13-11-14-21(25)22(23(19)26)20(18)15-16-27-28(5,6)24(2,3)4/h17-18,20,22H,7-16H2,1-6H3
InChIKeyNUTAZJYNXKMPSU-UHFFFAOYSA-N
XLogP6.48
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.68
LogP ≤ 56.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 9-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-8-hexylbicyclo[4.3.1]dec-6-ene-2,10-dione with MolForge

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Related Compounds

3-[4-[Tert-butyl(dimethyl)silyl]oxy-2-ethylbutyl]cyclopent-2-en-1-one
CID 49793347
(1R,7R,10R,11R)-10-[tert-butyl(dimethyl)silyl]oxytricyclo[5.3.2.04,11]dodec-4-en-6-one
CID 53348302
(3aS,7R,7aR)-3a-methyl-3-methylidene-7-[tri(propan-2-yl)silyloxymethyl]-1,2,7,7a-tetrahydroinden-4-one
CID 101777851
(5S)-4-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylprop-2-enyl]-2-methyl-5-propan-2-yl-3-prop-2-enylcyclohex-2-en-1-one
CID 134865422
8-[2-[Tert-butyl(dimethyl)silyl]oxyethyl]tricyclo[7.4.1.02,7]tetradec-1-ene-10,14-dione
CID 135066711
7-[2-[Tert-butyl(dimethyl)silyl]oxyethyl]tricyclo[6.4.1.02,6]tridec-1-ene-9,13-dione
CID 135069791
(3aR,7aR)-7a-(3-((tert-butyldimethylsilyl)oxy)propyl)-3,3-dimethyl-3,3a,4,7a-tetrahydro-5H-inden-5-one
CID 162786861
(4S,7S)-7-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-4-methylcyclohept-2-en-1-one
CID 10590061
(6S)-6-[(2S)-1-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxypropan-2-yl]-3-methylcyclohex-2-en-1-one
CID 10979836
(5R)-2-methyl-5-[3-tri(propan-2-yl)silyloxyprop-1-en-2-yl]cyclohex-2-en-1-one
CID 71492283
2-Methyl-5-[3-tri(propan-2-yl)silyloxyprop-1-en-2-yl]cyclohex-2-en-1-one
CID 77992474
5-Methyl-1-[4-methyl-5,10-bis(trimethylsilyloxy)undecyl]inden-4-one
CID 139838418

Frequently Asked Questions

What is the IUPAC name of 9-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-8-hexylbicyclo[4.3.1]dec-6-ene-2,10-dione?
The IUPAC name of 9-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-8-hexylbicyclo[4.3.1]dec-6-ene-2,10-dione (CID 135068870) is 9-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-8-hexylbicyclo[4.3.1]dec-6-ene-2,10-dione.
What is the SMILES notation for 9-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-8-hexylbicyclo[4.3.1]dec-6-ene-2,10-dione?
The canonical SMILES for 9-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-8-hexylbicyclo[4.3.1]dec-6-ene-2,10-dione is CCCCCCC1C=C2CCCC(=O)C(C2=O)C1CCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of 9-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-8-hexylbicyclo[4.3.1]dec-6-ene-2,10-dione?
The InChIKey is NUTAZJYNXKMPSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H42O3Si/c1-7-8-9-10-12-18-17-19-13-11-14-21(25)22(23(19)26)20(18)15-16-27-28(5,6)24(2,3)4/h17-18,20,22H,7-16H2,1-6H3.
What are the key properties of 9-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-8-hexylbicyclo[4.3.1]dec-6-ene-2,10-dione?
9-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-8-hexylbicyclo[4.3.1]dec-6-ene-2,10-dione has a molecular weight of 406.68 g/mol, XLogP of 6.48, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-8-hexylbicyclo[4.3.1]dec-6-ene-2,10-dione is sourced from PubChem (CID 135068870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).