(2R,3R,4aR,8Z,12aR)-8-ethenyl-2,3-dimethoxy-2,3-dimethyl-4a,7,10,12a-tetrahydro-[1,4]dioxino[2,3-c][1,6]dioxecine-5,12-dione

C16H22O8 — CID 101261477

IUPAC(2R,3R,4aR,8Z,12aR)-8-ethenyl-2,3-dimethoxy-2,3-dimethyl-4a,7,10,12a-tetrahydro-[1,4]dioxino[2,3-c][1,6]dioxecine-5,12-dione
SMILESC=C/C1=C/COC(=O)[C@@H]2O[C@@](C)(OC)[C@](C)(OC)O[C@H]2C(=O)OC1
InChIInChI=1S/C16H22O8/c1-6-10-7-8-21-13(17)11-12(14(18)22-9-10)24-16(3,20-5)15(2,19-4)23-11/h6-7,11-12H,1,8-9H2,2-5H3/b10-7-/t11-,12-,15-,16-/m1/s1
InChIKeyVFVMYNSZTITULY-APVDCSEWSA-N
MW342.34 g/mol
LogP0.71
Rot. Bonds3

About (2R,3R,4aR,8Z,12aR)-8-ethenyl-2,3-dimethoxy-2,3-dimethyl-4a,7,10,12a-tetrahydro-[1,4]dioxino[2,3-c][1,6]dioxecine-5,12-dione

(2R,3R,4aR,8Z,12aR)-8-ethenyl-2,3-dimethoxy-2,3-dimethyl-4a,7,10,12a-tetrahydro-[1,4]dioxino[2,3-c][1,6]dioxecine-5,12-dione (PubChem CID 101261477) has the molecular formula C16H22O8 and a molecular weight of 342.34 g/mol. Its IUPAC name is (2R,3R,4aR,8Z,12aR)-8-ethenyl-2,3-dimethoxy-2,3-dimethyl-4a,7,10,12a-tetrahydro-[1,4]dioxino[2,3-c][1,6]dioxecine-5,12-dione.

Molecular Properties

Compound Name(2R,3R,4aR,8Z,12aR)-8-ethenyl-2,3-dimethoxy-2,3-dimethyl-4a,7,10,12a-tetrahydro-[1,4]dioxino[2,3-c][1,6]dioxecine-5,12-dione
PubChem CID101261477
Molecular FormulaC16H22O8
Molecular Weight342.34 g/mol
Exact Mass342.13
IUPAC Name(2R,3R,4aR,8Z,12aR)-8-ethenyl-2,3-dimethoxy-2,3-dimethyl-4a,7,10,12a-tetrahydro-[1,4]dioxino[2,3-c][1,6]dioxecine-5,12-dione
SMILESC=C/C1=C/COC(=O)[C@@H]2O[C@@](C)(OC)[C@](C)(OC)O[C@H]2C(=O)OC1
InChIInChI=1S/C16H22O8/c1-6-10-7-8-21-13(17)11-12(14(18)22-9-10)24-16(3,20-5)15(2,19-4)23-11/h6-7,11-12H,1,8-9H2,2-5H3/b10-7-/t11-,12-,15-,16-/m1/s1
InChIKeyVFVMYNSZTITULY-APVDCSEWSA-N
XLogP0.71
TPSA89.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.34
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze (2R,3R,4aR,8Z,12aR)-8-ethenyl-2,3-dimethoxy-2,3-dimethyl-4a,7,10,12a-tetrahydro-[1,4]dioxino[2,3-c][1,6]dioxecine-5,12-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,4aR,8Z,12aR)-8-ethenyl-2,3-dimethoxy-2,3-dimethyl-4a,7,10,12a-tetrahydro-[1,4]dioxino[2,3-c][1,6]dioxecine-5,12-dione?
The IUPAC name of (2R,3R,4aR,8Z,12aR)-8-ethenyl-2,3-dimethoxy-2,3-dimethyl-4a,7,10,12a-tetrahydro-[1,4]dioxino[2,3-c][1,6]dioxecine-5,12-dione (CID 101261477) is (2R,3R,4aR,8Z,12aR)-8-ethenyl-2,3-dimethoxy-2,3-dimethyl-4a,7,10,12a-tetrahydro-[1,4]dioxino[2,3-c][1,6]dioxecine-5,12-dione.
What is the SMILES notation for (2R,3R,4aR,8Z,12aR)-8-ethenyl-2,3-dimethoxy-2,3-dimethyl-4a,7,10,12a-tetrahydro-[1,4]dioxino[2,3-c][1,6]dioxecine-5,12-dione?
The canonical SMILES for (2R,3R,4aR,8Z,12aR)-8-ethenyl-2,3-dimethoxy-2,3-dimethyl-4a,7,10,12a-tetrahydro-[1,4]dioxino[2,3-c][1,6]dioxecine-5,12-dione is C=C/C1=C/COC(=O)[C@@H]2O[C@@](C)(OC)[C@](C)(OC)O[C@H]2C(=O)OC1.
What is the InChIKey of (2R,3R,4aR,8Z,12aR)-8-ethenyl-2,3-dimethoxy-2,3-dimethyl-4a,7,10,12a-tetrahydro-[1,4]dioxino[2,3-c][1,6]dioxecine-5,12-dione?
The InChIKey is VFVMYNSZTITULY-APVDCSEWSA-N. The full InChI is InChI=1S/C16H22O8/c1-6-10-7-8-21-13(17)11-12(14(18)22-9-10)24-16(3,20-5)15(2,19-4)23-11/h6-7,11-12H,1,8-9H2,2-5H3/b10-7-/t11-,12-,15-,16-/m1/s1.
What are the key properties of (2R,3R,4aR,8Z,12aR)-8-ethenyl-2,3-dimethoxy-2,3-dimethyl-4a,7,10,12a-tetrahydro-[1,4]dioxino[2,3-c][1,6]dioxecine-5,12-dione?
(2R,3R,4aR,8Z,12aR)-8-ethenyl-2,3-dimethoxy-2,3-dimethyl-4a,7,10,12a-tetrahydro-[1,4]dioxino[2,3-c][1,6]dioxecine-5,12-dione has a molecular weight of 342.34 g/mol, XLogP of 0.71, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4aR,8Z,12aR)-8-ethenyl-2,3-dimethoxy-2,3-dimethyl-4a,7,10,12a-tetrahydro-[1,4]dioxino[2,3-c][1,6]dioxecine-5,12-dione is sourced from PubChem (CID 101261477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).