[(3aR,5R,6R,6aR)-5-(hydroxymethyl)-2,2-dimethyl-6-propanoyloxy-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methyl propanoate

C15H24O8 — CID 102325485

IUPAC[(3aR,5R,6R,6aR)-5-(hydroxymethyl)-2,2-dimethyl-6-propanoyloxy-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methyl propanoate
SMILESCCC(=O)OC[C@@]1(CO)O[C@@H]2OC(C)(C)O[C@@H]2[C@H]1OC(=O)CC
InChIInChI=1S/C15H24O8/c1-5-9(17)19-8-15(7-16)12(20-10(18)6-2)11-13(23-15)22-14(3,4)21-11/h11-13,16H,5-8H2,1-4H3/t11-,12-,13+,15-/m1/s1
InChIKeyOOURGMLITIOLQE-GUIRCDHDSA-N
MW332.35 g/mol
LogP0.50
Rot. Bonds6

About [(3aR,5R,6R,6aR)-5-(hydroxymethyl)-2,2-dimethyl-6-propanoyloxy-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methyl propanoate

[(3aR,5R,6R,6aR)-5-(hydroxymethyl)-2,2-dimethyl-6-propanoyloxy-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methyl propanoate (PubChem CID 102325485) has the molecular formula C15H24O8 and a molecular weight of 332.35 g/mol. Its IUPAC name is [(3aR,5R,6R,6aR)-5-(hydroxymethyl)-2,2-dimethyl-6-propanoyloxy-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methyl propanoate.

Molecular Properties

Compound Name[(3aR,5R,6R,6aR)-5-(hydroxymethyl)-2,2-dimethyl-6-propanoyloxy-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methyl propanoate
PubChem CID102325485
Molecular FormulaC15H24O8
Molecular Weight332.35 g/mol
Exact Mass332.15
IUPAC Name[(3aR,5R,6R,6aR)-5-(hydroxymethyl)-2,2-dimethyl-6-propanoyloxy-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methyl propanoate
SMILESCCC(=O)OC[C@@]1(CO)O[C@@H]2OC(C)(C)O[C@@H]2[C@H]1OC(=O)CC
InChIInChI=1S/C15H24O8/c1-5-9(17)19-8-15(7-16)12(20-10(18)6-2)11-13(23-15)22-14(3,4)21-11/h11-13,16H,5-8H2,1-4H3/t11-,12-,13+,15-/m1/s1
InChIKeyOOURGMLITIOLQE-GUIRCDHDSA-N
XLogP0.50
TPSA100.52 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.35
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze [(3aR,5R,6R,6aR)-5-(hydroxymethyl)-2,2-dimethyl-6-propanoyloxy-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methyl propanoate with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(3aR,5R,6R,6aR)-5-(hydroxymethyl)-2,2-dimethyl-6-propanoyloxy-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methyl propanoate?
The IUPAC name of [(3aR,5R,6R,6aR)-5-(hydroxymethyl)-2,2-dimethyl-6-propanoyloxy-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methyl propanoate (CID 102325485) is [(3aR,5R,6R,6aR)-5-(hydroxymethyl)-2,2-dimethyl-6-propanoyloxy-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methyl propanoate.
What is the SMILES notation for [(3aR,5R,6R,6aR)-5-(hydroxymethyl)-2,2-dimethyl-6-propanoyloxy-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methyl propanoate?
The canonical SMILES for [(3aR,5R,6R,6aR)-5-(hydroxymethyl)-2,2-dimethyl-6-propanoyloxy-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methyl propanoate is CCC(=O)OC[C@@]1(CO)O[C@@H]2OC(C)(C)O[C@@H]2[C@H]1OC(=O)CC.
What is the InChIKey of [(3aR,5R,6R,6aR)-5-(hydroxymethyl)-2,2-dimethyl-6-propanoyloxy-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methyl propanoate?
The InChIKey is OOURGMLITIOLQE-GUIRCDHDSA-N. The full InChI is InChI=1S/C15H24O8/c1-5-9(17)19-8-15(7-16)12(20-10(18)6-2)11-13(23-15)22-14(3,4)21-11/h11-13,16H,5-8H2,1-4H3/t11-,12-,13+,15-/m1/s1.
What are the key properties of [(3aR,5R,6R,6aR)-5-(hydroxymethyl)-2,2-dimethyl-6-propanoyloxy-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methyl propanoate?
[(3aR,5R,6R,6aR)-5-(hydroxymethyl)-2,2-dimethyl-6-propanoyloxy-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methyl propanoate has a molecular weight of 332.35 g/mol, XLogP of 0.50, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aR,5R,6R,6aR)-5-(hydroxymethyl)-2,2-dimethyl-6-propanoyloxy-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methyl propanoate is sourced from PubChem (CID 102325485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).