1-(5-methoxy-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)ethanone

C11H16O3 — CID 163480534

IUPAC1-(5-methoxy-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)ethanone
SMILESCOC1OC2C3CC(CC13)C2C(C)=O
InChIInChI=1S/C11H16O3/c1-5(12)9-6-3-7-8(4-6)11(13-2)14-10(7)9/h6-11H,3-4H2,1-2H3
InChIKeyCEDOVEGZXMXRPS-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.22
Rot. Bonds2

About 1-(5-methoxy-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)ethanone

1-(5-methoxy-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)ethanone (PubChem CID 163480534) has the molecular formula C11H16O3 and a molecular weight of 196.25 g/mol. Its IUPAC name is 1-(5-methoxy-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)ethanone.

Molecular Properties

Compound Name1-(5-methoxy-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)ethanone
PubChem CID163480534
Molecular FormulaC11H16O3
Molecular Weight196.25 g/mol
Exact Mass196.11
IUPAC Name1-(5-methoxy-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)ethanone
SMILESCOC1OC2C3CC(CC13)C2C(C)=O
InChIInChI=1S/C11H16O3/c1-5(12)9-6-3-7-8(4-6)11(13-2)14-10(7)9/h6-11H,3-4H2,1-2H3
InChIKeyCEDOVEGZXMXRPS-UHFFFAOYSA-N
XLogP1.22
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1S,2S,3R,5R,7S)-2-tricyclo[3.3.1.03,7]nonanyl]ethanone
CID 129429042
[(1R,2S,4S,5R,6R)-3-oxatricyclo[3.2.1.02,4]octan-6-yl] acetate
CID 124920048
[(1S,2S,3R,5R,7R,8R,10R)-4-oxatetracyclo[6.2.1.02,7.03,5]undecan-10-yl] acetate
CID 124836742
[(3S,5R,6R)-3,5-diacetyloxy-2,6-dimethoxyoxan-4-yl] acetate
CID 134937092
1-[(1R)-2-methoxy-7,7-dimethyl-3-oxabicyclo[4.1.0]heptan-4-yl]ethanone
CID 70591269
(1S,2S,5R)-2-methoxy-3-oxabicyclo[3.1.0]hexane
CID 142869266
3-tetracyclo[5.3.1.12,6.04,9]dodecanyl acetate
CID 594790
methyl 5-hydroxy-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate
CID 163690021
4-(3-methoxyoxiran-2-yl)cycloheptane-1-carboxylic acid
CID 91366550
1-[(1S,2R,3S,4R)-3-methoxy-2-bicyclo[2.2.1]hept-5-enyl]ethanone
CID 101012303
(5-acetyloxy-6-methoxy-2-methyloxan-3-yl) acetate
CID 538720
[1-[(1R,2R,3S,4S,5R,6S)-6-acetyl-3-tricyclo[3.2.1.02,4]octanyl]-2-methylprop-1-enyl] acetate
CID 11658976

Frequently Asked Questions

What is the IUPAC name of 1-(5-methoxy-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)ethanone?
The IUPAC name of 1-(5-methoxy-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)ethanone (CID 163480534) is 1-(5-methoxy-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)ethanone.
What is the SMILES notation for 1-(5-methoxy-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)ethanone?
The canonical SMILES for 1-(5-methoxy-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)ethanone is COC1OC2C3CC(CC13)C2C(C)=O.
What is the InChIKey of 1-(5-methoxy-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)ethanone?
The InChIKey is CEDOVEGZXMXRPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O3/c1-5(12)9-6-3-7-8(4-6)11(13-2)14-10(7)9/h6-11H,3-4H2,1-2H3.
What are the key properties of 1-(5-methoxy-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)ethanone?
1-(5-methoxy-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)ethanone has a molecular weight of 196.25 g/mol, XLogP of 1.22, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methoxy-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)ethanone is sourced from PubChem (CID 163480534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).