(3aS,6aR)-6-hydroxy-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one

C7H10O5 — CID 11019350

IUPAC(3aS,6aR)-6-hydroxy-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one
SMILESCC1(C)O[C@@H]2C(=O)OC(O)[C@@H]2O1
InChIInChI=1S/C7H10O5/c1-7(2)11-3-4(12-7)6(9)10-5(3)8/h3-5,8H,1-2H3/t3-,4+,5?/m1/s1
InChIKeyUPFMNKGFLNXERP-OVEKKEMJSA-N
MW174.15 g/mol
LogP-0.62
Rot. Bonds

About (3aS,6aR)-6-hydroxy-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one

(3aS,6aR)-6-hydroxy-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one (PubChem CID 11019350) has the molecular formula C7H10O5 and a molecular weight of 174.15 g/mol. Its IUPAC name is (3aS,6aR)-6-hydroxy-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one.

Molecular Properties

Compound Name(3aS,6aR)-6-hydroxy-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one
PubChem CID11019350
Molecular FormulaC7H10O5
Molecular Weight174.15 g/mol
Exact Mass174.05
IUPAC Name(3aS,6aR)-6-hydroxy-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one
SMILESCC1(C)O[C@@H]2C(=O)OC(O)[C@@H]2O1
InChIInChI=1S/C7H10O5/c1-7(2)11-3-4(12-7)6(9)10-5(3)8/h3-5,8H,1-2H3/t3-,4+,5?/m1/s1
InChIKeyUPFMNKGFLNXERP-OVEKKEMJSA-N
XLogP-0.62
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.15
LogP ≤ 5-0.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3aS,6aR)-6-hydroxy-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one?
The IUPAC name of (3aS,6aR)-6-hydroxy-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one (CID 11019350) is (3aS,6aR)-6-hydroxy-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one.
What is the SMILES notation for (3aS,6aR)-6-hydroxy-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one?
The canonical SMILES for (3aS,6aR)-6-hydroxy-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one is CC1(C)O[C@@H]2C(=O)OC(O)[C@@H]2O1.
What is the InChIKey of (3aS,6aR)-6-hydroxy-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one?
The InChIKey is UPFMNKGFLNXERP-OVEKKEMJSA-N. The full InChI is InChI=1S/C7H10O5/c1-7(2)11-3-4(12-7)6(9)10-5(3)8/h3-5,8H,1-2H3/t3-,4+,5?/m1/s1.
What are the key properties of (3aS,6aR)-6-hydroxy-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one?
(3aS,6aR)-6-hydroxy-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one has a molecular weight of 174.15 g/mol, XLogP of -0.62, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,6aR)-6-hydroxy-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one is sourced from PubChem (CID 11019350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).