4-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2,7-trimethyl-4,4a,7,7a-tetrahydrofuro[3,2-d][1,3]dioxin-6-one

C14H22O6 — CID 20580574

IUPAC4-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2,7-trimethyl-4,4a,7,7a-tetrahydrofuro[3,2-d][1,3]dioxin-6-one
SMILESCC1C(=O)OC2C(C3COC(C)(C)O3)OC(C)(C)OC12
InChIInChI=1S/C14H22O6/c1-7-9-11(17-12(7)15)10(20-14(4,5)19-9)8-6-16-13(2,3)18-8/h7-11H,6H2,1-5H3
InChIKeyODGMVRAWRRWJSB-UHFFFAOYSA-N
MW286.32 g/mol
LogP1.22
Rot. Bonds1

About 4-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2,7-trimethyl-4,4a,7,7a-tetrahydrofuro[3,2-d][1,3]dioxin-6-one

4-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2,7-trimethyl-4,4a,7,7a-tetrahydrofuro[3,2-d][1,3]dioxin-6-one (PubChem CID 20580574) has the molecular formula C14H22O6 and a molecular weight of 286.32 g/mol. Its IUPAC name is 4-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2,7-trimethyl-4,4a,7,7a-tetrahydrofuro[3,2-d][1,3]dioxin-6-one.

Molecular Properties

Compound Name4-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2,7-trimethyl-4,4a,7,7a-tetrahydrofuro[3,2-d][1,3]dioxin-6-one
PubChem CID20580574
Molecular FormulaC14H22O6
Molecular Weight286.32 g/mol
Exact Mass286.14
IUPAC Name4-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2,7-trimethyl-4,4a,7,7a-tetrahydrofuro[3,2-d][1,3]dioxin-6-one
SMILESCC1C(=O)OC2C(C3COC(C)(C)O3)OC(C)(C)OC12
InChIInChI=1S/C14H22O6/c1-7-9-11(17-12(7)15)10(20-14(4,5)19-9)8-6-16-13(2,3)18-8/h7-11H,6H2,1-5H3
InChIKeyODGMVRAWRRWJSB-UHFFFAOYSA-N
XLogP1.22
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.32
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2,7-trimethyl-4,4a,7,7a-tetrahydrofuro[3,2-d][1,3]dioxin-6-one?
The IUPAC name of 4-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2,7-trimethyl-4,4a,7,7a-tetrahydrofuro[3,2-d][1,3]dioxin-6-one (CID 20580574) is 4-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2,7-trimethyl-4,4a,7,7a-tetrahydrofuro[3,2-d][1,3]dioxin-6-one.
What is the SMILES notation for 4-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2,7-trimethyl-4,4a,7,7a-tetrahydrofuro[3,2-d][1,3]dioxin-6-one?
The canonical SMILES for 4-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2,7-trimethyl-4,4a,7,7a-tetrahydrofuro[3,2-d][1,3]dioxin-6-one is CC1C(=O)OC2C(C3COC(C)(C)O3)OC(C)(C)OC12.
What is the InChIKey of 4-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2,7-trimethyl-4,4a,7,7a-tetrahydrofuro[3,2-d][1,3]dioxin-6-one?
The InChIKey is ODGMVRAWRRWJSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O6/c1-7-9-11(17-12(7)15)10(20-14(4,5)19-9)8-6-16-13(2,3)18-8/h7-11H,6H2,1-5H3.
What are the key properties of 4-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2,7-trimethyl-4,4a,7,7a-tetrahydrofuro[3,2-d][1,3]dioxin-6-one?
4-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2,7-trimethyl-4,4a,7,7a-tetrahydrofuro[3,2-d][1,3]dioxin-6-one has a molecular weight of 286.32 g/mol, XLogP of 1.22, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2,7-trimethyl-4,4a,7,7a-tetrahydrofuro[3,2-d][1,3]dioxin-6-one is sourced from PubChem (CID 20580574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).