(4aR,8aR)-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxine

C6H10O4 — CID 13133853

IUPAC(4aR,8aR)-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxine
SMILESC1OC[C@H]2OCOC[C@H]2O1
InChIInChI=1S/C6H10O4/c1-5-6(10-3-7-1)2-8-4-9-5/h5-6H,1-4H2/t5-,6-/m1/s1
InChIKeyZSXZBTAQINTJES-PHDIDXHHSA-N
MW146.14 g/mol
LogP-0.27
Rot. Bonds

About (4aR,8aR)-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxine

(4aR,8aR)-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxine (PubChem CID 13133853) has the molecular formula C6H10O4 and a molecular weight of 146.14 g/mol. Its IUPAC name is (4aR,8aR)-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxine.

Molecular Properties

Compound Name(4aR,8aR)-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxine
PubChem CID13133853
Molecular FormulaC6H10O4
Molecular Weight146.14 g/mol
Exact Mass146.06
IUPAC Name(4aR,8aR)-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxine
SMILESC1OC[C@H]2OCOC[C@H]2O1
InChIInChI=1S/C6H10O4/c1-5-6(10-3-7-1)2-8-4-9-5/h5-6H,1-4H2/t5-,6-/m1/s1
InChIKeyZSXZBTAQINTJES-PHDIDXHHSA-N
XLogP-0.27
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.14
LogP ≤ 5-0.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4aR,8aR)-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxine?
The IUPAC name of (4aR,8aR)-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxine (CID 13133853) is (4aR,8aR)-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxine.
What is the SMILES notation for (4aR,8aR)-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxine?
The canonical SMILES for (4aR,8aR)-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxine is C1OC[C@H]2OCOC[C@H]2O1.
What is the InChIKey of (4aR,8aR)-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxine?
The InChIKey is ZSXZBTAQINTJES-PHDIDXHHSA-N. The full InChI is InChI=1S/C6H10O4/c1-5-6(10-3-7-1)2-8-4-9-5/h5-6H,1-4H2/t5-,6-/m1/s1.
What are the key properties of (4aR,8aR)-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxine?
(4aR,8aR)-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxine has a molecular weight of 146.14 g/mol, XLogP of -0.27, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR,8aR)-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxine is sourced from PubChem (CID 13133853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).