6-(hydroxymethyl)-2,2,3a-trimethyl-6,6a-dihydrofuro[3,4-d][1,3]dioxol-4-one

C9H14O5 — CID 14427905

IUPAC6-(hydroxymethyl)-2,2,3a-trimethyl-6,6a-dihydrofuro[3,4-d][1,3]dioxol-4-one
SMILESCC1(C)OC2C(CO)OC(=O)C2(C)O1
InChIInChI=1S/C9H14O5/c1-8(2)13-6-5(4-10)12-7(11)9(6,3)14-8/h5-6,10H,4H2,1-3H3
InChIKeyJTORQZQZELCRKV-UHFFFAOYSA-N
MW202.21 g/mol
LogP-0.19
Rot. Bonds1

About 6-(hydroxymethyl)-2,2,3a-trimethyl-6,6a-dihydrofuro[3,4-d][1,3]dioxol-4-one

6-(hydroxymethyl)-2,2,3a-trimethyl-6,6a-dihydrofuro[3,4-d][1,3]dioxol-4-one (PubChem CID 14427905) has the molecular formula C9H14O5 and a molecular weight of 202.21 g/mol. Its IUPAC name is 6-(hydroxymethyl)-2,2,3a-trimethyl-6,6a-dihydrofuro[3,4-d][1,3]dioxol-4-one.

Molecular Properties

Compound Name6-(hydroxymethyl)-2,2,3a-trimethyl-6,6a-dihydrofuro[3,4-d][1,3]dioxol-4-one
PubChem CID14427905
Molecular FormulaC9H14O5
Molecular Weight202.21 g/mol
Exact Mass202.08
IUPAC Name6-(hydroxymethyl)-2,2,3a-trimethyl-6,6a-dihydrofuro[3,4-d][1,3]dioxol-4-one
SMILESCC1(C)OC2C(CO)OC(=O)C2(C)O1
InChIInChI=1S/C9H14O5/c1-8(2)13-6-5(4-10)12-7(11)9(6,3)14-8/h5-6,10H,4H2,1-3H3
InChIKeyJTORQZQZELCRKV-UHFFFAOYSA-N
XLogP-0.19
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 5-0.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(hydroxymethyl)-2,2,3a-trimethyl-6,6a-dihydrofuro[3,4-d][1,3]dioxol-4-one?
The IUPAC name of 6-(hydroxymethyl)-2,2,3a-trimethyl-6,6a-dihydrofuro[3,4-d][1,3]dioxol-4-one (CID 14427905) is 6-(hydroxymethyl)-2,2,3a-trimethyl-6,6a-dihydrofuro[3,4-d][1,3]dioxol-4-one.
What is the SMILES notation for 6-(hydroxymethyl)-2,2,3a-trimethyl-6,6a-dihydrofuro[3,4-d][1,3]dioxol-4-one?
The canonical SMILES for 6-(hydroxymethyl)-2,2,3a-trimethyl-6,6a-dihydrofuro[3,4-d][1,3]dioxol-4-one is CC1(C)OC2C(CO)OC(=O)C2(C)O1.
What is the InChIKey of 6-(hydroxymethyl)-2,2,3a-trimethyl-6,6a-dihydrofuro[3,4-d][1,3]dioxol-4-one?
The InChIKey is JTORQZQZELCRKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O5/c1-8(2)13-6-5(4-10)12-7(11)9(6,3)14-8/h5-6,10H,4H2,1-3H3.
What are the key properties of 6-(hydroxymethyl)-2,2,3a-trimethyl-6,6a-dihydrofuro[3,4-d][1,3]dioxol-4-one?
6-(hydroxymethyl)-2,2,3a-trimethyl-6,6a-dihydrofuro[3,4-d][1,3]dioxol-4-one has a molecular weight of 202.21 g/mol, XLogP of -0.19, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(hydroxymethyl)-2,2,3a-trimethyl-6,6a-dihydrofuro[3,4-d][1,3]dioxol-4-one is sourced from PubChem (CID 14427905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).