10aH-pyrano[3,2-h][1,4]benzodioxine

C11H8O3 — CID 22324460

IUPAC10aH-pyrano[3,2-h][1,4]benzodioxine
SMILESC1=COC2C(=C1)C=CC1=C2OC=CO1
InChIInChI=1S/C11H8O3/c1-2-8-3-4-9-11(10(8)13-5-1)14-7-6-12-9/h1-7,10H
InChIKeyIBJALDCDCSYVEJ-UHFFFAOYSA-N
MW188.18 g/mol
LogP2.12
Rot. Bonds

About 10aH-pyrano[3,2-h][1,4]benzodioxine

10aH-pyrano[3,2-h][1,4]benzodioxine (PubChem CID 22324460) has the molecular formula C11H8O3 and a molecular weight of 188.18 g/mol. Its IUPAC name is 10aH-pyrano[3,2-h][1,4]benzodioxine.

Molecular Properties

Compound Name10aH-pyrano[3,2-h][1,4]benzodioxine
PubChem CID22324460
Molecular FormulaC11H8O3
Molecular Weight188.18 g/mol
Exact Mass188.05
IUPAC Name10aH-pyrano[3,2-h][1,4]benzodioxine
SMILESC1=COC2C(=C1)C=CC1=C2OC=CO1
InChIInChI=1S/C11H8O3/c1-2-8-3-4-9-11(10(8)13-5-1)14-7-6-12-9/h1-7,10H
InChIKeyIBJALDCDCSYVEJ-UHFFFAOYSA-N
XLogP2.12
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.18
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 10aH-pyrano[3,2-h][1,4]benzodioxine?
The IUPAC name of 10aH-pyrano[3,2-h][1,4]benzodioxine (CID 22324460) is 10aH-pyrano[3,2-h][1,4]benzodioxine.
What is the SMILES notation for 10aH-pyrano[3,2-h][1,4]benzodioxine?
The canonical SMILES for 10aH-pyrano[3,2-h][1,4]benzodioxine is C1=COC2C(=C1)C=CC1=C2OC=CO1.
What is the InChIKey of 10aH-pyrano[3,2-h][1,4]benzodioxine?
The InChIKey is IBJALDCDCSYVEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8O3/c1-2-8-3-4-9-11(10(8)13-5-1)14-7-6-12-9/h1-7,10H.
What are the key properties of 10aH-pyrano[3,2-h][1,4]benzodioxine?
10aH-pyrano[3,2-h][1,4]benzodioxine has a molecular weight of 188.18 g/mol, XLogP of 2.12, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10aH-pyrano[3,2-h][1,4]benzodioxine is sourced from PubChem (CID 22324460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).