[(4aS,6R,7R,7aS)-7-acetyloxy-4a-methoxy-2,2-dimethyl-4,6,7,7a-tetrahydrofuro[3,2-d][1,3]dioxin-6-yl]methyl acetate

C14H22O8 — CID 11716702

IUPAC[(4aS,6R,7R,7aS)-7-acetyloxy-4a-methoxy-2,2-dimethyl-4,6,7,7a-tetrahydrofuro[3,2-d][1,3]dioxin-6-yl]methyl acetate
SMILESCO[C@]12COC(C)(C)O[C@H]1[C@H](OC(C)=O)[C@@H](COC(C)=O)O2
InChIInChI=1S/C14H22O8/c1-8(15)18-6-10-11(20-9(2)16)12-14(17-5,21-10)7-19-13(3,4)22-12/h10-12H,6-7H2,1-5H3/t10-,11-,12+,14+/m1/s1
InChIKeyQWADBORRQUEQAH-NMKXLXIOSA-N
MW318.32 g/mol
LogP0.37
Rot. Bonds4

About [(4aS,6R,7R,7aS)-7-acetyloxy-4a-methoxy-2,2-dimethyl-4,6,7,7a-tetrahydrofuro[3,2-d][1,3]dioxin-6-yl]methyl acetate

[(4aS,6R,7R,7aS)-7-acetyloxy-4a-methoxy-2,2-dimethyl-4,6,7,7a-tetrahydrofuro[3,2-d][1,3]dioxin-6-yl]methyl acetate (PubChem CID 11716702) has the molecular formula C14H22O8 and a molecular weight of 318.32 g/mol. Its IUPAC name is [(4aS,6R,7R,7aS)-7-acetyloxy-4a-methoxy-2,2-dimethyl-4,6,7,7a-tetrahydrofuro[3,2-d][1,3]dioxin-6-yl]methyl acetate.

Molecular Properties

Compound Name[(4aS,6R,7R,7aS)-7-acetyloxy-4a-methoxy-2,2-dimethyl-4,6,7,7a-tetrahydrofuro[3,2-d][1,3]dioxin-6-yl]methyl acetate
PubChem CID11716702
Molecular FormulaC14H22O8
Molecular Weight318.32 g/mol
Exact Mass318.13
IUPAC Name[(4aS,6R,7R,7aS)-7-acetyloxy-4a-methoxy-2,2-dimethyl-4,6,7,7a-tetrahydrofuro[3,2-d][1,3]dioxin-6-yl]methyl acetate
SMILESCO[C@]12COC(C)(C)O[C@H]1[C@H](OC(C)=O)[C@@H](COC(C)=O)O2
InChIInChI=1S/C14H22O8/c1-8(15)18-6-10-11(20-9(2)16)12-14(17-5,21-10)7-19-13(3,4)22-12/h10-12H,6-7H2,1-5H3/t10-,11-,12+,14+/m1/s1
InChIKeyQWADBORRQUEQAH-NMKXLXIOSA-N
XLogP0.37
TPSA89.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.32
LogP ≤ 50.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze [(4aS,6R,7R,7aS)-7-acetyloxy-4a-methoxy-2,2-dimethyl-4,6,7,7a-tetrahydrofuro[3,2-d][1,3]dioxin-6-yl]methyl acetate with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(4aS,6R,7R,7aS)-7-acetyloxy-4a-methoxy-2,2-dimethyl-4,6,7,7a-tetrahydrofuro[3,2-d][1,3]dioxin-6-yl]methyl acetate?
The IUPAC name of [(4aS,6R,7R,7aS)-7-acetyloxy-4a-methoxy-2,2-dimethyl-4,6,7,7a-tetrahydrofuro[3,2-d][1,3]dioxin-6-yl]methyl acetate (CID 11716702) is [(4aS,6R,7R,7aS)-7-acetyloxy-4a-methoxy-2,2-dimethyl-4,6,7,7a-tetrahydrofuro[3,2-d][1,3]dioxin-6-yl]methyl acetate.
What is the SMILES notation for [(4aS,6R,7R,7aS)-7-acetyloxy-4a-methoxy-2,2-dimethyl-4,6,7,7a-tetrahydrofuro[3,2-d][1,3]dioxin-6-yl]methyl acetate?
The canonical SMILES for [(4aS,6R,7R,7aS)-7-acetyloxy-4a-methoxy-2,2-dimethyl-4,6,7,7a-tetrahydrofuro[3,2-d][1,3]dioxin-6-yl]methyl acetate is CO[C@]12COC(C)(C)O[C@H]1[C@H](OC(C)=O)[C@@H](COC(C)=O)O2.
What is the InChIKey of [(4aS,6R,7R,7aS)-7-acetyloxy-4a-methoxy-2,2-dimethyl-4,6,7,7a-tetrahydrofuro[3,2-d][1,3]dioxin-6-yl]methyl acetate?
The InChIKey is QWADBORRQUEQAH-NMKXLXIOSA-N. The full InChI is InChI=1S/C14H22O8/c1-8(15)18-6-10-11(20-9(2)16)12-14(17-5,21-10)7-19-13(3,4)22-12/h10-12H,6-7H2,1-5H3/t10-,11-,12+,14+/m1/s1.
What are the key properties of [(4aS,6R,7R,7aS)-7-acetyloxy-4a-methoxy-2,2-dimethyl-4,6,7,7a-tetrahydrofuro[3,2-d][1,3]dioxin-6-yl]methyl acetate?
[(4aS,6R,7R,7aS)-7-acetyloxy-4a-methoxy-2,2-dimethyl-4,6,7,7a-tetrahydrofuro[3,2-d][1,3]dioxin-6-yl]methyl acetate has a molecular weight of 318.32 g/mol, XLogP of 0.37, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(4aS,6R,7R,7aS)-7-acetyloxy-4a-methoxy-2,2-dimethyl-4,6,7,7a-tetrahydrofuro[3,2-d][1,3]dioxin-6-yl]methyl acetate is sourced from PubChem (CID 11716702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).