2-propan-2-yl-4,4a,5,9b-tetrahydroindeno[1,2-d][1,3]dioxine

C14H18O2 — CID 2832760

IUPAC2-propan-2-yl-4,4a,5,9b-tetrahydroindeno[1,2-d][1,3]dioxine
SMILESCC(C)C1OCC2Cc3ccccc3C2O1
InChIInChI=1S/C14H18O2/c1-9(2)14-15-8-11-7-10-5-3-4-6-12(10)13(11)16-14/h3-6,9,11,13-14H,7-8H2,1-2H3
InChIKeyNOBNLHDWQDMAEA-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.93
Rot. Bonds1

About 2-propan-2-yl-4,4a,5,9b-tetrahydroindeno[1,2-d][1,3]dioxine

2-propan-2-yl-4,4a,5,9b-tetrahydroindeno[1,2-d][1,3]dioxine (PubChem CID 2832760) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is 2-propan-2-yl-4,4a,5,9b-tetrahydroindeno[1,2-d][1,3]dioxine.

Molecular Properties

Compound Name2-propan-2-yl-4,4a,5,9b-tetrahydroindeno[1,2-d][1,3]dioxine
PubChem CID2832760
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Name2-propan-2-yl-4,4a,5,9b-tetrahydroindeno[1,2-d][1,3]dioxine
SMILESCC(C)C1OCC2Cc3ccccc3C2O1
InChIInChI=1S/C14H18O2/c1-9(2)14-15-8-11-7-10-5-3-4-6-12(10)13(11)16-14/h3-6,9,11,13-14H,7-8H2,1-2H3
InChIKeyNOBNLHDWQDMAEA-UHFFFAOYSA-N
XLogP2.93
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-4,4a,5,9b-tetrahydroindeno[1,2-d][1,3]dioxine?
The IUPAC name of 2-propan-2-yl-4,4a,5,9b-tetrahydroindeno[1,2-d][1,3]dioxine (CID 2832760) is 2-propan-2-yl-4,4a,5,9b-tetrahydroindeno[1,2-d][1,3]dioxine.
What is the SMILES notation for 2-propan-2-yl-4,4a,5,9b-tetrahydroindeno[1,2-d][1,3]dioxine?
The canonical SMILES for 2-propan-2-yl-4,4a,5,9b-tetrahydroindeno[1,2-d][1,3]dioxine is CC(C)C1OCC2Cc3ccccc3C2O1.
What is the InChIKey of 2-propan-2-yl-4,4a,5,9b-tetrahydroindeno[1,2-d][1,3]dioxine?
The InChIKey is NOBNLHDWQDMAEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O2/c1-9(2)14-15-8-11-7-10-5-3-4-6-12(10)13(11)16-14/h3-6,9,11,13-14H,7-8H2,1-2H3.
What are the key properties of 2-propan-2-yl-4,4a,5,9b-tetrahydroindeno[1,2-d][1,3]dioxine?
2-propan-2-yl-4,4a,5,9b-tetrahydroindeno[1,2-d][1,3]dioxine has a molecular weight of 218.30 g/mol, XLogP of 2.93, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-4,4a,5,9b-tetrahydroindeno[1,2-d][1,3]dioxine is sourced from PubChem (CID 2832760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).