4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl 2-methylprop-2-enoate

C11H14O4 — CID 58785742

IUPAC4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1C2CC3COC1C3O2
InChIInChI=1S/C11H14O4/c1-5(2)11(12)15-9-7-3-6-4-13-10(9)8(6)14-7/h6-10H,1,3-4H2,2H3
InChIKeyMFBBRIAASZWBLU-UHFFFAOYSA-N
MW210.23 g/mol
LogP0.66
Rot. Bonds2

About 4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl 2-methylprop-2-enoate

4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl 2-methylprop-2-enoate (PubChem CID 58785742) has the molecular formula C11H14O4 and a molecular weight of 210.23 g/mol. Its IUPAC name is 4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl 2-methylprop-2-enoate.

Molecular Properties

Compound Name4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl 2-methylprop-2-enoate
PubChem CID58785742
Molecular FormulaC11H14O4
Molecular Weight210.23 g/mol
Exact Mass210.09
IUPAC Name4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1C2CC3COC1C3O2
InChIInChI=1S/C11H14O4/c1-5(2)11(12)15-9-7-3-6-4-13-10(9)8(6)14-7/h6-10H,1,3-4H2,2H3
InChIKeyMFBBRIAASZWBLU-UHFFFAOYSA-N
XLogP0.66
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-(4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yloxy)-2-oxoethanesulfinate
CID 147397693
2-ethenoxy-4,8-dioxatricyclo[4.2.1.03,7]nonane
CID 58785768
oxiran-2-yl 2-methylprop-2-enoate
CID 20678066
[(1R,2S,3S,4R,5R)-3-hydroxy-4-(2-methylprop-2-enoyloxy)-6,8-dioxabicyclo[3.2.1]octan-2-yl] 2-methylprop-2-enoate
CID 10236484
2-adamantyl 2-methylprop-2-enoate
CID 12039948
[3-(oxiran-2-yl)cyclohexyl] 2-methylprop-2-enoate
CID 141303889
1,3-dioxolan-4-yl 2-methylprop-2-enoate
CID 118057422
(5,6-dimethyl-1,4-dioxan-2-yl) 2-methylprop-2-enoate
CID 58183676
[(3R,4R,5S)-6-acetyloxy-4,5-bis(2-methylprop-2-enoyloxy)oxan-3-yl] 2-methylprop-2-enoate
CID 144922848
(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl)oxycarbonyl 2-methylprop-2-enoate
CID 59476787
(3-hydroxy-3,7-dimethyl-2,6-dioxabicyclo[3.2.1]octan-8-yl) 2-methylprop-2-enoate
CID 130346263
(3S,3aR,6R,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3,6-diol;methyl 2-methylprop-2-enoate
CID 146313796

Frequently Asked Questions

What is the IUPAC name of 4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl 2-methylprop-2-enoate?
The IUPAC name of 4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl 2-methylprop-2-enoate (CID 58785742) is 4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl 2-methylprop-2-enoate.
What is the SMILES notation for 4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl 2-methylprop-2-enoate?
The canonical SMILES for 4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl 2-methylprop-2-enoate is C=C(C)C(=O)OC1C2CC3COC1C3O2.
What is the InChIKey of 4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl 2-methylprop-2-enoate?
The InChIKey is MFBBRIAASZWBLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O4/c1-5(2)11(12)15-9-7-3-6-4-13-10(9)8(6)14-7/h6-10H,1,3-4H2,2H3.
What are the key properties of 4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl 2-methylprop-2-enoate?
4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl 2-methylprop-2-enoate has a molecular weight of 210.23 g/mol, XLogP of 0.66, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl 2-methylprop-2-enoate is sourced from PubChem (CID 58785742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).