(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) propanoate

C10H12O5 — CID 59229022

IUPAC(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) propanoate
SMILESCCC(=O)OC1C2CC3C(=O)OC1C3O2
InChIInChI=1S/C10H12O5/c1-2-6(11)14-8-5-3-4-7(13-5)9(8)15-10(4)12/h4-5,7-9H,2-3H2,1H3
InChIKeyYJYYHRPYEQISNR-UHFFFAOYSA-N
MW212.20 g/mol
LogP0.02
Rot. Bonds2

About (5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) propanoate

(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) propanoate (PubChem CID 59229022) has the molecular formula C10H12O5 and a molecular weight of 212.20 g/mol. Its IUPAC name is (5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) propanoate.

Molecular Properties

Compound Name(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) propanoate
PubChem CID59229022
Molecular FormulaC10H12O5
Molecular Weight212.20 g/mol
Exact Mass212.07
IUPAC Name(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) propanoate
SMILESCCC(=O)OC1C2CC3C(=O)OC1C3O2
InChIInChI=1S/C10H12O5/c1-2-6(11)14-8-5-3-4-7(13-5)9(8)15-10(4)12/h4-5,7-9H,2-3H2,1H3
InChIKeyYJYYHRPYEQISNR-UHFFFAOYSA-N
XLogP0.02
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.20
LogP ≤ 50.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Launch Full Analysis

Related Compounds

[2-oxo-2-[(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 2-methylbutanoate
CID 59554769
(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) 2-ethyl-4-hydroxy-2-methylbutanoate
CID 156684603
(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) 2-(hydroxymethyl)-2-methylbutanoate
CID 59344447
(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl)oxycarbonyl 2-methylprop-2-enoate
CID 59476787
(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) 4-(2-methylprop-2-enoyloxy)butanoate
CID 59554771
(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) 3-methyl-2-methylidenebutanoate
CID 89188635
1,1,2,2-tetrafluoro-4-oxo-4-[(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]butane-1-sulfonate
CID 140639455
(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) 2-iodo-2,3-dimethylbutanoate
CID 148987769
[4-oxo-4-[[(1S)-5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl]oxy]butan-2-yl] 2-(trifluoromethyl)prop-2-enoate
CID 89132989
2-(methoxymethoxy)-4,8-dioxatricyclo[4.2.1.03,7]nonan-5-one
CID 59539834
methane;(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylbutanoate
CID 160650696
1,1-difluoro-2-oxo-2-[(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethanesulfinic acid
CID 131970481

Frequently Asked Questions

What is the IUPAC name of (5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) propanoate?
The IUPAC name of (5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) propanoate (CID 59229022) is (5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) propanoate.
What is the SMILES notation for (5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) propanoate?
The canonical SMILES for (5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) propanoate is CCC(=O)OC1C2CC3C(=O)OC1C3O2.
What is the InChIKey of (5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) propanoate?
The InChIKey is YJYYHRPYEQISNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O5/c1-2-6(11)14-8-5-3-4-7(13-5)9(8)15-10(4)12/h4-5,7-9H,2-3H2,1H3.
What are the key properties of (5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) propanoate?
(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) propanoate has a molecular weight of 212.20 g/mol, XLogP of 0.02, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) propanoate is sourced from PubChem (CID 59229022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).