(3aS,7R,7aR)-7-hydroxy-2,2,3a,7-tetramethyl-4,7a-dihydro-[1,3]dioxolo[4,5-c]pyran-6-one

C10H16O5 — CID 101477402

IUPAC(3aS,7R,7aR)-7-hydroxy-2,2,3a,7-tetramethyl-4,7a-dihydro-[1,3]dioxolo[4,5-c]pyran-6-one
SMILESCC1(C)O[C@@H]2[C@@](C)(O)C(=O)OC[C@]2(C)O1
InChIInChI=1S/C10H16O5/c1-8(2)14-6-9(3,15-8)5-13-7(11)10(6,4)12/h6,12H,5H2,1-4H3/t6-,9-,10+/m0/s1
InChIKeyOXXGADUHBQUBHW-JMOVZRAMSA-N
MW216.23 g/mol
LogP0.20
Rot. Bonds

About (3aS,7R,7aR)-7-hydroxy-2,2,3a,7-tetramethyl-4,7a-dihydro-[1,3]dioxolo[4,5-c]pyran-6-one

(3aS,7R,7aR)-7-hydroxy-2,2,3a,7-tetramethyl-4,7a-dihydro-[1,3]dioxolo[4,5-c]pyran-6-one (PubChem CID 101477402) has the molecular formula C10H16O5 and a molecular weight of 216.23 g/mol. Its IUPAC name is (3aS,7R,7aR)-7-hydroxy-2,2,3a,7-tetramethyl-4,7a-dihydro-[1,3]dioxolo[4,5-c]pyran-6-one.

Molecular Properties

Compound Name(3aS,7R,7aR)-7-hydroxy-2,2,3a,7-tetramethyl-4,7a-dihydro-[1,3]dioxolo[4,5-c]pyran-6-one
PubChem CID101477402
Molecular FormulaC10H16O5
Molecular Weight216.23 g/mol
Exact Mass216.10
IUPAC Name(3aS,7R,7aR)-7-hydroxy-2,2,3a,7-tetramethyl-4,7a-dihydro-[1,3]dioxolo[4,5-c]pyran-6-one
SMILESCC1(C)O[C@@H]2[C@@](C)(O)C(=O)OC[C@]2(C)O1
InChIInChI=1S/C10H16O5/c1-8(2)14-6-9(3,15-8)5-13-7(11)10(6,4)12/h6,12H,5H2,1-4H3/t6-,9-,10+/m0/s1
InChIKeyOXXGADUHBQUBHW-JMOVZRAMSA-N
XLogP0.20
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.23
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3aS,7R,7aR)-7-hydroxy-2,2,3a,7-tetramethyl-4,7a-dihydro-[1,3]dioxolo[4,5-c]pyran-6-one with MolForge

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Related Compounds

3,4-O-Isoprpylidene-D-arabinono-1,5-lactone
CID 11593646
D-Lyxonic acid, 3,5-O-(1-methylethylidene)-, gamma-lactone
CID 14335543
3,5-O-Isopropylidene-2-C-methyl-D-xylonolactone
CID 16048227
(2S,3R)-Ethyl 3-((R)-2,2-dimethyl-1,3-dioxolan-4-yl)-2,3-dihydroxy-2-methylpropanoate
CID 52987879
2,3-o-Isopropylidene-l-lyxonolactone
CID 91112319
L-Arabinonic acid, 3,4-O-(1-methylethylidene)-, delta-lactone
CID 11458147
Erythro-2,3-(isopropylidenedioxy)-2-methylvaleric acid
CID 85393293
2-C-Methyl-3,4-O-methylidene-D-arabinono-1,5-lactone
CID 102026059
ethyl 3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxy-2-methyl-3-oxopropanoate
CID 134862110
tert-butyl (2R,3R)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,3-dihydroxy-2-(hydroxymethyl)propanoate
CID 134930572
tert-butyl (2S,3R)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,3-dihydroxy-2-(hydroxymethyl)propanoate
CID 134934884
2,3-C-Dimethyl-3,4-O-isopropylidene-D-allono-1,5-lactone
CID 139072748

Frequently Asked Questions

What is the IUPAC name of (3aS,7R,7aR)-7-hydroxy-2,2,3a,7-tetramethyl-4,7a-dihydro-[1,3]dioxolo[4,5-c]pyran-6-one?
The IUPAC name of (3aS,7R,7aR)-7-hydroxy-2,2,3a,7-tetramethyl-4,7a-dihydro-[1,3]dioxolo[4,5-c]pyran-6-one (CID 101477402) is (3aS,7R,7aR)-7-hydroxy-2,2,3a,7-tetramethyl-4,7a-dihydro-[1,3]dioxolo[4,5-c]pyran-6-one.
What is the SMILES notation for (3aS,7R,7aR)-7-hydroxy-2,2,3a,7-tetramethyl-4,7a-dihydro-[1,3]dioxolo[4,5-c]pyran-6-one?
The canonical SMILES for (3aS,7R,7aR)-7-hydroxy-2,2,3a,7-tetramethyl-4,7a-dihydro-[1,3]dioxolo[4,5-c]pyran-6-one is CC1(C)O[C@@H]2[C@@](C)(O)C(=O)OC[C@]2(C)O1.
What is the InChIKey of (3aS,7R,7aR)-7-hydroxy-2,2,3a,7-tetramethyl-4,7a-dihydro-[1,3]dioxolo[4,5-c]pyran-6-one?
The InChIKey is OXXGADUHBQUBHW-JMOVZRAMSA-N. The full InChI is InChI=1S/C10H16O5/c1-8(2)14-6-9(3,15-8)5-13-7(11)10(6,4)12/h6,12H,5H2,1-4H3/t6-,9-,10+/m0/s1.
What are the key properties of (3aS,7R,7aR)-7-hydroxy-2,2,3a,7-tetramethyl-4,7a-dihydro-[1,3]dioxolo[4,5-c]pyran-6-one?
(3aS,7R,7aR)-7-hydroxy-2,2,3a,7-tetramethyl-4,7a-dihydro-[1,3]dioxolo[4,5-c]pyran-6-one has a molecular weight of 216.23 g/mol, XLogP of 0.20, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,7R,7aR)-7-hydroxy-2,2,3a,7-tetramethyl-4,7a-dihydro-[1,3]dioxolo[4,5-c]pyran-6-one is sourced from PubChem (CID 101477402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).