1-(methoxymethyl)-3-(1-methylcyclopentyl)-7-oxabicyclo[2.2.1]heptane

C14H24O2 — CID 23594543

IUPAC1-(methoxymethyl)-3-(1-methylcyclopentyl)-7-oxabicyclo[2.2.1]heptane
SMILESCOCC12CCC(O1)C(C1(C)CCCC1)C2
InChIInChI=1S/C14H24O2/c1-13(6-3-4-7-13)11-9-14(10-15-2)8-5-12(11)16-14/h11-12H,3-10H2,1-2H3
InChIKeyQGDVIYOOVVPNMR-UHFFFAOYSA-N
MW224.34 g/mol
LogP3.15
Rot. Bonds3

About 1-(methoxymethyl)-3-(1-methylcyclopentyl)-7-oxabicyclo[2.2.1]heptane

1-(methoxymethyl)-3-(1-methylcyclopentyl)-7-oxabicyclo[2.2.1]heptane (PubChem CID 23594543) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is 1-(methoxymethyl)-3-(1-methylcyclopentyl)-7-oxabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name1-(methoxymethyl)-3-(1-methylcyclopentyl)-7-oxabicyclo[2.2.1]heptane
PubChem CID23594543
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name1-(methoxymethyl)-3-(1-methylcyclopentyl)-7-oxabicyclo[2.2.1]heptane
SMILESCOCC12CCC(O1)C(C1(C)CCCC1)C2
InChIInChI=1S/C14H24O2/c1-13(6-3-4-7-13)11-9-14(10-15-2)8-5-12(11)16-14/h11-12H,3-10H2,1-2H3
InChIKeyQGDVIYOOVVPNMR-UHFFFAOYSA-N
XLogP3.15
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[1-[4-(methoxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]cyclohexyl] 2-methylprop-2-enoate
CID 58734480
[1-[1-(acetyloxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]cyclopentyl] 2-methylprop-2-enoate;[1-(4-ethyl-7-oxabicyclo[2.2.1]heptan-2-yl)cyclohexyl] 2-methylprop-2-enoate;[1-(4-ethyl-7-oxabicyclo[2.2.1]heptan-2-yl)cyclopentyl] 2-methylprop-2-enoate;[1-[1-(hydroxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]cyclopentyl] 2-methylprop-2-enoate;[1-[4-(hydroxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]cyclopentyl] 2-methylprop-2-enoate;[1-[1-(methoxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]cyclohexyl] 2-methylprop-2-enoate
CID 159284646
(1R,5S)-1,5-bis(methoxymethyl)-8-oxabicyclo[3.2.1]octane
CID 122546546
3,3-bis(methoxymethyl)-6-oxabicyclo[3.1.0]hexane
CID 146049054
3-cyclohexyl-3-(methoxymethyl)-1,5-dioxaspiro[5.11]heptadecane
CID 86682639
(5R,7R)-5-(methoxymethyl)-7-methyl-1-azabicyclo[3.2.0]heptane
CID 168881491
7a-(methoxymethyl)-3,3a,4,5,6,7-hexahydro-1H-isoindol-2-amine
CID 121204312
9-methoxy-6-(methoxymethyl)-8-methyl-7-oxabicyclo[4.2.1]nonane
CID 167547824
4-cyclobutyl-2-(methoxymethyl)-2-methylpyrrolidine
CID 117270860
7-butyl-1-methylbicyclo[4.2.0]octane
CID 123922439
1-(methoxymethyl)cyclohexan-1-ol
CID 12552140
1-methyl-9-oxabicyclo[3.3.1]nonane
CID 54377321

Frequently Asked Questions

What is the IUPAC name of 1-(methoxymethyl)-3-(1-methylcyclopentyl)-7-oxabicyclo[2.2.1]heptane?
The IUPAC name of 1-(methoxymethyl)-3-(1-methylcyclopentyl)-7-oxabicyclo[2.2.1]heptane (CID 23594543) is 1-(methoxymethyl)-3-(1-methylcyclopentyl)-7-oxabicyclo[2.2.1]heptane.
What is the SMILES notation for 1-(methoxymethyl)-3-(1-methylcyclopentyl)-7-oxabicyclo[2.2.1]heptane?
The canonical SMILES for 1-(methoxymethyl)-3-(1-methylcyclopentyl)-7-oxabicyclo[2.2.1]heptane is COCC12CCC(O1)C(C1(C)CCCC1)C2.
What is the InChIKey of 1-(methoxymethyl)-3-(1-methylcyclopentyl)-7-oxabicyclo[2.2.1]heptane?
The InChIKey is QGDVIYOOVVPNMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O2/c1-13(6-3-4-7-13)11-9-14(10-15-2)8-5-12(11)16-14/h11-12H,3-10H2,1-2H3.
What are the key properties of 1-(methoxymethyl)-3-(1-methylcyclopentyl)-7-oxabicyclo[2.2.1]heptane?
1-(methoxymethyl)-3-(1-methylcyclopentyl)-7-oxabicyclo[2.2.1]heptane has a molecular weight of 224.34 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methoxymethyl)-3-(1-methylcyclopentyl)-7-oxabicyclo[2.2.1]heptane is sourced from PubChem (CID 23594543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).