4-oxatricyclo[4.2.1.03,7]nonan-5-yl acetate

C10H14O3 — CID 58143072

IUPAC4-oxatricyclo[4.2.1.03,7]nonan-5-yl acetate
SMILESCC(=O)OC1OC2CC3CC2C1C3
InChIInChI=1S/C10H14O3/c1-5(11)12-10-8-3-6-2-7(8)9(4-6)13-10/h6-10H,2-4H2,1H3
InChIKeyWULURWJTLYIUPY-UHFFFAOYSA-N
MW182.22 g/mol
LogP1.32
Rot. Bonds1

About 4-oxatricyclo[4.2.1.03,7]nonan-5-yl acetate

4-oxatricyclo[4.2.1.03,7]nonan-5-yl acetate (PubChem CID 58143072) has the molecular formula C10H14O3 and a molecular weight of 182.22 g/mol. Its IUPAC name is 4-oxatricyclo[4.2.1.03,7]nonan-5-yl acetate.

Molecular Properties

Compound Name4-oxatricyclo[4.2.1.03,7]nonan-5-yl acetate
PubChem CID58143072
Molecular FormulaC10H14O3
Molecular Weight182.22 g/mol
Exact Mass182.09
IUPAC Name4-oxatricyclo[4.2.1.03,7]nonan-5-yl acetate
SMILESCC(=O)OC1OC2CC3CC2C1C3
InChIInChI=1S/C10H14O3/c1-5(11)12-10-8-3-6-2-7(8)9(4-6)13-10/h6-10H,2-4H2,1H3
InChIKeyWULURWJTLYIUPY-UHFFFAOYSA-N
XLogP1.32
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

11-Oxapentacyclo[5.4.1.02,6.03,10.04,8]dodecan-1-yl acetate
CID 4392714
4-Oxatricyclo[4.2.1.03,7]nonan-5-ol
CID 15195820
3-Ethoxy-4-oxatricyclo[4.2.1.03,7]nonane
CID 131860043
(1S,3R,5S,6R,7R)-4-oxatricyclo[4.2.1.03,7]nonan-5-ol
CID 22840736
(1S,3R,5R,6R,7R)-4-oxatricyclo[4.2.1.03,7]nonan-5-ol
CID 22840740
2-Methyl-4-oxatricyclo[4.2.1.03,7]nonan-5-ol
CID 68197820
(5S)-4-oxatricyclo[4.2.1.03,7]nonan-5-ol
CID 70416038
(1R,3R,5R,6R,7R)-4-oxatricyclo[4.2.1.03,7]nonan-5-ol
CID 70416055
(5R)-4-oxatricyclo[4.2.1.03,7]nonan-5-ol
CID 70416098
Ethane;4-oxatricyclo[4.2.1.03,7]nonan-5-yl acetate
CID 91021984
Acetyl acetate;ethane;4-oxatricyclo[4.2.1.03,7]nonan-5-ol
CID 91353523
Ethane;4-oxatricyclo[4.2.1.03,7]nonan-5-ol
CID 91552369

Frequently Asked Questions

What is the IUPAC name of 4-oxatricyclo[4.2.1.03,7]nonan-5-yl acetate?
The IUPAC name of 4-oxatricyclo[4.2.1.03,7]nonan-5-yl acetate (CID 58143072) is 4-oxatricyclo[4.2.1.03,7]nonan-5-yl acetate.
What is the SMILES notation for 4-oxatricyclo[4.2.1.03,7]nonan-5-yl acetate?
The canonical SMILES for 4-oxatricyclo[4.2.1.03,7]nonan-5-yl acetate is CC(=O)OC1OC2CC3CC2C1C3.
What is the InChIKey of 4-oxatricyclo[4.2.1.03,7]nonan-5-yl acetate?
The InChIKey is WULURWJTLYIUPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O3/c1-5(11)12-10-8-3-6-2-7(8)9(4-6)13-10/h6-10H,2-4H2,1H3.
What are the key properties of 4-oxatricyclo[4.2.1.03,7]nonan-5-yl acetate?
4-oxatricyclo[4.2.1.03,7]nonan-5-yl acetate has a molecular weight of 182.22 g/mol, XLogP of 1.32, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxatricyclo[4.2.1.03,7]nonan-5-yl acetate is sourced from PubChem (CID 58143072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).