1-(1-bicyclo[2.2.2]octanyl)-4-(methoxymethoxy)bicyclo[2.2.2]octane

C18H30O2 — CID 10333803

IUPAC1-(1-bicyclo[2.2.2]octanyl)-4-(methoxymethoxy)bicyclo[2.2.2]octane
SMILESCOCOC12CCC(C34CCC(CC3)CC4)(CC1)CC2
InChIInChI=1S/C18H30O2/c1-19-14-20-18-11-8-17(9-12-18,10-13-18)16-5-2-15(3-6-16)4-7-16/h15H,2-14H2,1H3
InChIKeyYKRAGHIQBMYZOQ-UHFFFAOYSA-N
MW278.44 g/mol
LogP4.67
Rot. Bonds4

About 1-(1-bicyclo[2.2.2]octanyl)-4-(methoxymethoxy)bicyclo[2.2.2]octane

1-(1-bicyclo[2.2.2]octanyl)-4-(methoxymethoxy)bicyclo[2.2.2]octane (PubChem CID 10333803) has the molecular formula C18H30O2 and a molecular weight of 278.44 g/mol. Its IUPAC name is 1-(1-bicyclo[2.2.2]octanyl)-4-(methoxymethoxy)bicyclo[2.2.2]octane.

Molecular Properties

Compound Name1-(1-bicyclo[2.2.2]octanyl)-4-(methoxymethoxy)bicyclo[2.2.2]octane
PubChem CID10333803
Molecular FormulaC18H30O2
Molecular Weight278.44 g/mol
Exact Mass278.22
IUPAC Name1-(1-bicyclo[2.2.2]octanyl)-4-(methoxymethoxy)bicyclo[2.2.2]octane
SMILESCOCOC12CCC(C34CCC(CC3)CC4)(CC1)CC2
InChIInChI=1S/C18H30O2/c1-19-14-20-18-11-8-17(9-12-18,10-13-18)16-5-2-15(3-6-16)4-7-16/h15H,2-14H2,1H3
InChIKeyYKRAGHIQBMYZOQ-UHFFFAOYSA-N
XLogP4.67
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(1-bicyclo[2.2.2]octanyl)bicyclo[2.2.2]octane
CID 13184607
3-(methoxymethoxy)-3-methyl-6-prop-1-en-2-ylcyclohexene
CID 562417
4-(methoxymethoxy)-1-methylbicyclo[2.2.2]octan-2-one
CID 102216284
[1-(hydroxymethyl)-4-(methoxymethoxy)cyclohexyl]methanol
CID 18670315
CID 177423346
CID 177423346
acetic acid;1-bicyclo[2.2.2]octanyl acetate
CID 70587796
1-[[3,5-bis(2-hydroxy-3-methoxypropoxy)-1-adamantyl]oxy]-3-methoxypropan-2-ol
CID 140594533
bicyclo[2.2.2]octan-1-amine
CID 550214
2,2,3,3-tetrafluoro-1-(methoxymethoxy)-4-(4-methylcyclohexyl)bicyclo[2.2.2]octane
CID 59481103
4-(methoxymethoxy)-4-methyladamantan-1-ol
CID 156622050
5-ethoxyadamantane-1,3-diol
CID 71086173
(9S)-9-(methoxymethoxymethyl)-1,4-dioxaspiro[4.4]nonane
CID 124672672

Frequently Asked Questions

What is the IUPAC name of 1-(1-bicyclo[2.2.2]octanyl)-4-(methoxymethoxy)bicyclo[2.2.2]octane?
The IUPAC name of 1-(1-bicyclo[2.2.2]octanyl)-4-(methoxymethoxy)bicyclo[2.2.2]octane (CID 10333803) is 1-(1-bicyclo[2.2.2]octanyl)-4-(methoxymethoxy)bicyclo[2.2.2]octane.
What is the SMILES notation for 1-(1-bicyclo[2.2.2]octanyl)-4-(methoxymethoxy)bicyclo[2.2.2]octane?
The canonical SMILES for 1-(1-bicyclo[2.2.2]octanyl)-4-(methoxymethoxy)bicyclo[2.2.2]octane is COCOC12CCC(C34CCC(CC3)CC4)(CC1)CC2.
What is the InChIKey of 1-(1-bicyclo[2.2.2]octanyl)-4-(methoxymethoxy)bicyclo[2.2.2]octane?
The InChIKey is YKRAGHIQBMYZOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30O2/c1-19-14-20-18-11-8-17(9-12-18,10-13-18)16-5-2-15(3-6-16)4-7-16/h15H,2-14H2,1H3.
What are the key properties of 1-(1-bicyclo[2.2.2]octanyl)-4-(methoxymethoxy)bicyclo[2.2.2]octane?
1-(1-bicyclo[2.2.2]octanyl)-4-(methoxymethoxy)bicyclo[2.2.2]octane has a molecular weight of 278.44 g/mol, XLogP of 4.67, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-bicyclo[2.2.2]octanyl)-4-(methoxymethoxy)bicyclo[2.2.2]octane is sourced from PubChem (CID 10333803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).