2,2-dimethyl-4,4a,4b,5-tetrahydroindeno[2,1-d][1,3]dioxine

C13H16O2 — CID 66871548

IUPAC2,2-dimethyl-4,4a,4b,5-tetrahydroindeno[2,1-d][1,3]dioxine
SMILESCC1(C)OCC2C(=CC3=CC=CCC32)O1
InChIInChI=1S/C13H16O2/c1-13(2)14-8-11-10-6-4-3-5-9(10)7-12(11)15-13/h3-5,7,10-11H,6,8H2,1-2H3
InChIKeyFTZRHRHOHBXUGL-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.79
Rot. Bonds

About 2,2-dimethyl-4,4a,4b,5-tetrahydroindeno[2,1-d][1,3]dioxine

2,2-dimethyl-4,4a,4b,5-tetrahydroindeno[2,1-d][1,3]dioxine (PubChem CID 66871548) has the molecular formula C13H16O2 and a molecular weight of 204.27 g/mol. Its IUPAC name is 2,2-dimethyl-4,4a,4b,5-tetrahydroindeno[2,1-d][1,3]dioxine.

Molecular Properties

Compound Name2,2-dimethyl-4,4a,4b,5-tetrahydroindeno[2,1-d][1,3]dioxine
PubChem CID66871548
Molecular FormulaC13H16O2
Molecular Weight204.27 g/mol
Exact Mass204.12
IUPAC Name2,2-dimethyl-4,4a,4b,5-tetrahydroindeno[2,1-d][1,3]dioxine
SMILESCC1(C)OCC2C(=CC3=CC=CCC32)O1
InChIInChI=1S/C13H16O2/c1-13(2)14-8-11-10-6-4-3-5-9(10)7-12(11)15-13/h3-5,7,10-11H,6,8H2,1-2H3
InChIKeyFTZRHRHOHBXUGL-UHFFFAOYSA-N
XLogP2.79
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4,4a,4b,5-tetrahydroindeno[2,1-d][1,3]dioxine?
The IUPAC name of 2,2-dimethyl-4,4a,4b,5-tetrahydroindeno[2,1-d][1,3]dioxine (CID 66871548) is 2,2-dimethyl-4,4a,4b,5-tetrahydroindeno[2,1-d][1,3]dioxine.
What is the SMILES notation for 2,2-dimethyl-4,4a,4b,5-tetrahydroindeno[2,1-d][1,3]dioxine?
The canonical SMILES for 2,2-dimethyl-4,4a,4b,5-tetrahydroindeno[2,1-d][1,3]dioxine is CC1(C)OCC2C(=CC3=CC=CCC32)O1.
What is the InChIKey of 2,2-dimethyl-4,4a,4b,5-tetrahydroindeno[2,1-d][1,3]dioxine?
The InChIKey is FTZRHRHOHBXUGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O2/c1-13(2)14-8-11-10-6-4-3-5-9(10)7-12(11)15-13/h3-5,7,10-11H,6,8H2,1-2H3.
What are the key properties of 2,2-dimethyl-4,4a,4b,5-tetrahydroindeno[2,1-d][1,3]dioxine?
2,2-dimethyl-4,4a,4b,5-tetrahydroindeno[2,1-d][1,3]dioxine has a molecular weight of 204.27 g/mol, XLogP of 2.79, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4,4a,4b,5-tetrahydroindeno[2,1-d][1,3]dioxine is sourced from PubChem (CID 66871548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).