9-(2-methoxyethoxymethoxy)-4,8-dimethyl-6-trimethylsilyltricyclo[6.3.0.01,5]undecan-3-one

C20H36O4Si — CID 560610

IUPAC9-(2-methoxyethoxymethoxy)-4,8-dimethyl-6-trimethylsilyltricyclo[6.3.0.01,5]undecan-3-one
SMILESCOCCOCOC1CCC23CC(=O)C(C)C2C([Si](C)(C)C)CC13C
InChIInChI=1S/C20H36O4Si/c1-14-15(21)11-20-8-7-17(24-13-23-10-9-22-3)19(20,2)12-16(18(14)20)25(4,5)6/h14,16-18H,7-13H2,1-6H3
InChIKeyJMHMDJLZJNVBQO-UHFFFAOYSA-N
MW368.59 g/mol
LogP4.12
Rot. Bonds7

About 9-(2-methoxyethoxymethoxy)-4,8-dimethyl-6-trimethylsilyltricyclo[6.3.0.01,5]undecan-3-one

9-(2-methoxyethoxymethoxy)-4,8-dimethyl-6-trimethylsilyltricyclo[6.3.0.01,5]undecan-3-one (PubChem CID 560610) has the molecular formula C20H36O4Si and a molecular weight of 368.59 g/mol. Its IUPAC name is 9-(2-methoxyethoxymethoxy)-4,8-dimethyl-6-trimethylsilyltricyclo[6.3.0.01,5]undecan-3-one.

Molecular Properties

Compound Name9-(2-methoxyethoxymethoxy)-4,8-dimethyl-6-trimethylsilyltricyclo[6.3.0.01,5]undecan-3-one
PubChem CID560610
Molecular FormulaC20H36O4Si
Molecular Weight368.59 g/mol
Exact Mass368.24
IUPAC Name9-(2-methoxyethoxymethoxy)-4,8-dimethyl-6-trimethylsilyltricyclo[6.3.0.01,5]undecan-3-one
SMILESCOCCOCOC1CCC23CC(=O)C(C)C2C([Si](C)(C)C)CC13C
InChIInChI=1S/C20H36O4Si/c1-14-15(21)11-20-8-7-17(24-13-23-10-9-22-3)19(20,2)12-16(18(14)20)25(4,5)6/h14,16-18H,7-13H2,1-6H3
InChIKeyJMHMDJLZJNVBQO-UHFFFAOYSA-N
XLogP4.12
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.59
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 9-(2-methoxyethoxymethoxy)-4,8-dimethyl-6-trimethylsilyltricyclo[6.3.0.01,5]undecan-3-one with MolForge

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Related Compounds

(1S,3aS,6aR,7aR)-1-[tert-butyl(dimethyl)silyl]oxy-3a,5,5,7a-tetramethyl-2,3,3b,6,6a,7-hexahydro-1H-cyclopenta[a]pentalen-4-one
CID 11573864
(1S,3aS,6aS,7aR)-1-[tert-butyl(dimethyl)silyl]oxy-3a,5,5,7a-tetramethyl-2,3,3b,6,6a,7-hexahydro-1H-cyclopenta[a]pentalen-4-one
CID 11681834
(1S,3aR,6R,6aR)-1,5,5-trimethyl-6-(2-trimethylsilylethoxymethoxy)-1,3,3a,4,6,6a-hexahydropentalen-2-one
CID 134922322
(2R,3aS,4R,6aS)-4-((tert-butyldimethylsilyl)oxy)-8-(methoxymethoxy)-7,7-dimethyltetrahydro-1H,4H-3a,6a-propanopentalene-2-carboxylic acid
CID 162786779
Tricyclo[6.3.0.0(2,6)]undecan-10-one, 3-[(2-methoxyethoxy)methoxy]-2-methyl-
CID 560622
Tricyclo[6.3.0.0(1,5)]undecan-10-one, 4-[(2-methoxyethoxy)methoxy]-5,9-dimethyl-
CID 560626
Tricyclo[6.3.0.0(1,5)]undecan-10-one, 4-[(2-methoxyethoxy)methoxy]-5,11-dimethyl-
CID 560628
Tricyclo[6.3.0.0(1,5)]undecan-10-one, 4-[(2-methoxy ethoxy)methoxy]-5-methyl-
CID 560630
(3R,3aS,3bS,6aR,7aR)-3-(2-methoxyethoxymethoxy)-3a,5,5-trimethyl-1,3,3b,4,6,6a,7,7a-octahydrocyclopenta[a]pentalen-2-one
CID 11045130
(3aR,6aS)-5-[tert-butyl(dimethyl)silyl]oxy-4-(2-methoxypropan-2-yloxymethyl)-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-one
CID 54135032
CID 10917160
CID 10917160
(1'R,5'S,8'R,9'S)-9'-[tert-butyl(dimethyl)silyl]oxy-8'-methylspiro[1,3-dioxolane-2,4'-tricyclo[6.3.0.01,5]undecane]-6'-one
CID 10948557

Frequently Asked Questions

What is the IUPAC name of 9-(2-methoxyethoxymethoxy)-4,8-dimethyl-6-trimethylsilyltricyclo[6.3.0.01,5]undecan-3-one?
The IUPAC name of 9-(2-methoxyethoxymethoxy)-4,8-dimethyl-6-trimethylsilyltricyclo[6.3.0.01,5]undecan-3-one (CID 560610) is 9-(2-methoxyethoxymethoxy)-4,8-dimethyl-6-trimethylsilyltricyclo[6.3.0.01,5]undecan-3-one.
What is the SMILES notation for 9-(2-methoxyethoxymethoxy)-4,8-dimethyl-6-trimethylsilyltricyclo[6.3.0.01,5]undecan-3-one?
The canonical SMILES for 9-(2-methoxyethoxymethoxy)-4,8-dimethyl-6-trimethylsilyltricyclo[6.3.0.01,5]undecan-3-one is COCCOCOC1CCC23CC(=O)C(C)C2C([Si](C)(C)C)CC13C.
What is the InChIKey of 9-(2-methoxyethoxymethoxy)-4,8-dimethyl-6-trimethylsilyltricyclo[6.3.0.01,5]undecan-3-one?
The InChIKey is JMHMDJLZJNVBQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36O4Si/c1-14-15(21)11-20-8-7-17(24-13-23-10-9-22-3)19(20,2)12-16(18(14)20)25(4,5)6/h14,16-18H,7-13H2,1-6H3.
What are the key properties of 9-(2-methoxyethoxymethoxy)-4,8-dimethyl-6-trimethylsilyltricyclo[6.3.0.01,5]undecan-3-one?
9-(2-methoxyethoxymethoxy)-4,8-dimethyl-6-trimethylsilyltricyclo[6.3.0.01,5]undecan-3-one has a molecular weight of 368.59 g/mol, XLogP of 4.12, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-methoxyethoxymethoxy)-4,8-dimethyl-6-trimethylsilyltricyclo[6.3.0.01,5]undecan-3-one is sourced from PubChem (CID 560610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).