4-(methoxymethoxy)-1-methylbicyclo[2.2.2]octan-2-one

C11H18O3 — CID 102216284

IUPAC4-(methoxymethoxy)-1-methylbicyclo[2.2.2]octan-2-one
SMILESCOCOC12CCC(C)(CC1)C(=O)C2
InChIInChI=1S/C11H18O3/c1-10-3-5-11(6-4-10,7-9(10)12)14-8-13-2/h3-8H2,1-2H3
InChIKeyFWSKROOOEFFRKM-UHFFFAOYSA-N
MW198.26 g/mol
LogP1.90
Rot. Bonds3

About 4-(methoxymethoxy)-1-methylbicyclo[2.2.2]octan-2-one

4-(methoxymethoxy)-1-methylbicyclo[2.2.2]octan-2-one (PubChem CID 102216284) has the molecular formula C11H18O3 and a molecular weight of 198.26 g/mol. Its IUPAC name is 4-(methoxymethoxy)-1-methylbicyclo[2.2.2]octan-2-one.

Molecular Properties

Compound Name4-(methoxymethoxy)-1-methylbicyclo[2.2.2]octan-2-one
PubChem CID102216284
Molecular FormulaC11H18O3
Molecular Weight198.26 g/mol
Exact Mass198.13
IUPAC Name4-(methoxymethoxy)-1-methylbicyclo[2.2.2]octan-2-one
SMILESCOCOC12CCC(C)(CC1)C(=O)C2
InChIInChI=1S/C11H18O3/c1-10-3-5-11(6-4-10,7-9(10)12)14-8-13-2/h3-8H2,1-2H3
InChIKeyFWSKROOOEFFRKM-UHFFFAOYSA-N
XLogP1.90
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy-1-methylbicyclo[2.2.2]octan-2-one
CID 535116
1-methoxy-5-methylbicyclo[3.2.1]octan-6-one
CID 13108605
30,33,45-tris(methoxymethoxy)-2,5,14,17,42-pentamethylhexadecacyclo[56.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29.230,33.234,37.238,41.242,45.246,49.250,53.254,57]nonaconta-1(60),6(88),7,9(87),10(86),11,13(85),18(82),19,21(81),22(80),23,25(79),26(78),27,29(77),34,36,38,40,46,48,50,52,54,56,58,61,63,65,67,71,73-tritriacontaene
CID 89408227
5,18,21,30,33,42-hexakis(methoxymethoxy)-2,45-dimethyltetradecacyclo[48.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29.230,33.234,37.238,41.242,45.246,49]octaheptaconta-1(52),6(76),7,9(75),10(74),11,13(73),14(72),15,17(71),22(68),23,25(67),26(66),27,29(65),34,36,38,40,46,48,50,53,55,59,61-heptacosaene;undecacyclo[36.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29.230,33.234,37]hexaconta-1(40),2(60),3,5(59),6(58),7,9(57),10(56),11,13(55),14(54),15,17(53),18(52),19,21(51),22,24,26,28,30,32,34,36,38,41,43,45,47,49-triacontaene
CID 162254000
3-(methoxymethoxy)-3-methyl-2-methylidenecyclopentan-1-one
CID 130030595
1-(1-bicyclo[2.2.2]octanyl)-4-(methoxymethoxy)bicyclo[2.2.2]octane
CID 10333803
2-methoxy-2-methylcyclopropan-1-one
CID 57185083
3-[(3-chlorophenyl)methyl]-2,2-bis(methoxymethoxy)-3-methylcyclopentan-1-one
CID 67254603
(3aS,4S,6aR)-4-(methoxymethoxy)-6a-methyl-1,3,3a,4,5,6-hexahydropentalen-2-one
CID 102217240
5-methoxy-1-methyl-2-azabicyclo[3.2.2]nonan-3-one
CID 602970
4-(methoxymethyl)-4-methylazetidin-2-one
CID 64665365
1,5-dimethylbicyclo[3.2.0]heptan-6-one
CID 71351670

Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethoxy)-1-methylbicyclo[2.2.2]octan-2-one?
The IUPAC name of 4-(methoxymethoxy)-1-methylbicyclo[2.2.2]octan-2-one (CID 102216284) is 4-(methoxymethoxy)-1-methylbicyclo[2.2.2]octan-2-one.
What is the SMILES notation for 4-(methoxymethoxy)-1-methylbicyclo[2.2.2]octan-2-one?
The canonical SMILES for 4-(methoxymethoxy)-1-methylbicyclo[2.2.2]octan-2-one is COCOC12CCC(C)(CC1)C(=O)C2.
What is the InChIKey of 4-(methoxymethoxy)-1-methylbicyclo[2.2.2]octan-2-one?
The InChIKey is FWSKROOOEFFRKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O3/c1-10-3-5-11(6-4-10,7-9(10)12)14-8-13-2/h3-8H2,1-2H3.
What are the key properties of 4-(methoxymethoxy)-1-methylbicyclo[2.2.2]octan-2-one?
4-(methoxymethoxy)-1-methylbicyclo[2.2.2]octan-2-one has a molecular weight of 198.26 g/mol, XLogP of 1.90, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethoxy)-1-methylbicyclo[2.2.2]octan-2-one is sourced from PubChem (CID 102216284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).