[(3aR,6aR)-2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-5-yl]methyl acetate

C10H14O5 — CID 70254982

IUPAC[(3aR,6aR)-2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-5-yl]methyl acetate
SMILESCC(=O)OCC1=C[C@H]2OC(C)(C)O[C@H]2O1
InChIInChI=1S/C10H14O5/c1-6(11)12-5-7-4-8-9(13-7)15-10(2,3)14-8/h4,8-9H,5H2,1-3H3/t8-,9-/m1/s1
InChIKeyHDGCOTAJYRUYBX-RKDXNWHRSA-N
MW214.22 g/mol
LogP0.94
Rot. Bonds2

About [(3aR,6aR)-2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-5-yl]methyl acetate

[(3aR,6aR)-2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-5-yl]methyl acetate (PubChem CID 70254982) has the molecular formula C10H14O5 and a molecular weight of 214.22 g/mol. Its IUPAC name is [(3aR,6aR)-2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-5-yl]methyl acetate.

Molecular Properties

Compound Name[(3aR,6aR)-2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-5-yl]methyl acetate
PubChem CID70254982
Molecular FormulaC10H14O5
Molecular Weight214.22 g/mol
Exact Mass214.08
IUPAC Name[(3aR,6aR)-2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-5-yl]methyl acetate
SMILESCC(=O)OCC1=C[C@H]2OC(C)(C)O[C@H]2O1
InChIInChI=1S/C10H14O5/c1-6(11)12-5-7-4-8-9(13-7)15-10(2,3)14-8/h4,8-9H,5H2,1-3H3/t8-,9-/m1/s1
InChIKeyHDGCOTAJYRUYBX-RKDXNWHRSA-N
XLogP0.94
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(3aR,6aR)-2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-5-yl]methyl acetate?
The IUPAC name of [(3aR,6aR)-2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-5-yl]methyl acetate (CID 70254982) is [(3aR,6aR)-2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-5-yl]methyl acetate.
What is the SMILES notation for [(3aR,6aR)-2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-5-yl]methyl acetate?
The canonical SMILES for [(3aR,6aR)-2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-5-yl]methyl acetate is CC(=O)OCC1=C[C@H]2OC(C)(C)O[C@H]2O1.
What is the InChIKey of [(3aR,6aR)-2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-5-yl]methyl acetate?
The InChIKey is HDGCOTAJYRUYBX-RKDXNWHRSA-N. The full InChI is InChI=1S/C10H14O5/c1-6(11)12-5-7-4-8-9(13-7)15-10(2,3)14-8/h4,8-9H,5H2,1-3H3/t8-,9-/m1/s1.
What are the key properties of [(3aR,6aR)-2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-5-yl]methyl acetate?
[(3aR,6aR)-2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-5-yl]methyl acetate has a molecular weight of 214.22 g/mol, XLogP of 0.94, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aR,6aR)-2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-5-yl]methyl acetate is sourced from PubChem (CID 70254982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).