(5R)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-5-(hydroxymethyl)-2,2-dimethyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-ol

C13H22O7 — CID 171036232

IUPAC(5R)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-5-(hydroxymethyl)-2,2-dimethyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-ol
SMILESCC1(C)OC2O[C@@](CO)(C3COC(C)(C)O3)C(O)C2O1
InChIInChI=1S/C13H22O7/c1-11(2)16-5-7(17-11)13(6-14)9(15)8-10(20-13)19-12(3,4)18-8/h7-10,14-15H,5-6H2,1-4H3/t7?,8?,9?,10?,13-/m0/s1
InChIKeyFINKMOUGJAHYRP-AOMCXTAVSA-N
MW290.31 g/mol
LogP-0.26
Rot. Bonds2

About (5R)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-5-(hydroxymethyl)-2,2-dimethyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-ol

(5R)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-5-(hydroxymethyl)-2,2-dimethyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-ol (PubChem CID 171036232) has the molecular formula C13H22O7 and a molecular weight of 290.31 g/mol. Its IUPAC name is (5R)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-5-(hydroxymethyl)-2,2-dimethyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-ol.

Molecular Properties

Compound Name(5R)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-5-(hydroxymethyl)-2,2-dimethyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-ol
PubChem CID171036232
Molecular FormulaC13H22O7
Molecular Weight290.31 g/mol
Exact Mass290.14
IUPAC Name(5R)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-5-(hydroxymethyl)-2,2-dimethyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-ol
SMILESCC1(C)OC2O[C@@](CO)(C3COC(C)(C)O3)C(O)C2O1
InChIInChI=1S/C13H22O7/c1-11(2)16-5-7(17-11)13(6-14)9(15)8-10(20-13)19-12(3,4)18-8/h7-10,14-15H,5-6H2,1-4H3/t7?,8?,9?,10?,13-/m0/s1
InChIKeyFINKMOUGJAHYRP-AOMCXTAVSA-N
XLogP-0.26
TPSA86.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.31
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (5R)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-5-(hydroxymethyl)-2,2-dimethyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-5-(hydroxymethyl)-2,2-dimethyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-ol?
The IUPAC name of (5R)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-5-(hydroxymethyl)-2,2-dimethyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-ol (CID 171036232) is (5R)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-5-(hydroxymethyl)-2,2-dimethyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-ol.
What is the SMILES notation for (5R)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-5-(hydroxymethyl)-2,2-dimethyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-ol?
The canonical SMILES for (5R)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-5-(hydroxymethyl)-2,2-dimethyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-ol is CC1(C)OC2O[C@@](CO)(C3COC(C)(C)O3)C(O)C2O1.
What is the InChIKey of (5R)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-5-(hydroxymethyl)-2,2-dimethyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-ol?
The InChIKey is FINKMOUGJAHYRP-AOMCXTAVSA-N. The full InChI is InChI=1S/C13H22O7/c1-11(2)16-5-7(17-11)13(6-14)9(15)8-10(20-13)19-12(3,4)18-8/h7-10,14-15H,5-6H2,1-4H3/t7?,8?,9?,10?,13-/m0/s1.
What are the key properties of (5R)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-5-(hydroxymethyl)-2,2-dimethyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-ol?
(5R)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-5-(hydroxymethyl)-2,2-dimethyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-ol has a molecular weight of 290.31 g/mol, XLogP of -0.26, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-5-(hydroxymethyl)-2,2-dimethyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-ol is sourced from PubChem (CID 171036232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).