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

C9H14O6 — CID 14106428

IUPAC6-(1,2-dihydroxyethyl)-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one
SMILESCC1(C)OC2C(=O)OC(C(O)CO)C2O1
InChIInChI=1S/C9H14O6/c1-9(2)14-6-5(4(11)3-10)13-8(12)7(6)15-9/h4-7,10-11H,3H2,1-2H3
InChIKeySSSBRIPVSPUGBC-UHFFFAOYSA-N
MW218.20 g/mol
LogP-1.21
Rot. Bonds2

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

6-(1,2-dihydroxyethyl)-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one (PubChem CID 14106428) has the molecular formula C9H14O6 and a molecular weight of 218.20 g/mol. Its IUPAC name is 6-(1,2-dihydroxyethyl)-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one.

Molecular Properties

Compound Name6-(1,2-dihydroxyethyl)-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one
PubChem CID14106428
Molecular FormulaC9H14O6
Molecular Weight218.20 g/mol
Exact Mass218.08
IUPAC Name6-(1,2-dihydroxyethyl)-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one
SMILESCC1(C)OC2C(=O)OC(C(O)CO)C2O1
InChIInChI=1S/C9H14O6/c1-9(2)14-6-5(4(11)3-10)13-8(12)7(6)15-9/h4-7,10-11H,3H2,1-2H3
InChIKeySSSBRIPVSPUGBC-UHFFFAOYSA-N
XLogP-1.21
TPSA85.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.20
LogP ≤ 5-1.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-(1,2-dihydroxyethyl)-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(1,2-dihydroxyethyl)-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one?
The IUPAC name of 6-(1,2-dihydroxyethyl)-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one (CID 14106428) is 6-(1,2-dihydroxyethyl)-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one.
What is the SMILES notation for 6-(1,2-dihydroxyethyl)-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one?
The canonical SMILES for 6-(1,2-dihydroxyethyl)-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one is CC1(C)OC2C(=O)OC(C(O)CO)C2O1.
What is the InChIKey of 6-(1,2-dihydroxyethyl)-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one?
The InChIKey is SSSBRIPVSPUGBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O6/c1-9(2)14-6-5(4(11)3-10)13-8(12)7(6)15-9/h4-7,10-11H,3H2,1-2H3.
What are the key properties of 6-(1,2-dihydroxyethyl)-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one?
6-(1,2-dihydroxyethyl)-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one has a molecular weight of 218.20 g/mol, XLogP of -1.21, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,2-dihydroxyethyl)-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one is sourced from PubChem (CID 14106428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).