(4R,4aR,8R,8aR)-8-ethyl-4-prop-2-ynyl-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxine

C11H16O4 — CID 144837078

IUPAC(4R,4aR,8R,8aR)-8-ethyl-4-prop-2-ynyl-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxine
SMILESC#CC[C@H]1OCO[C@H]2[C@@H]1OCO[C@@H]2CC
InChIInChI=1S/C11H16O4/c1-3-5-9-11-10(14-7-13-9)8(4-2)12-6-15-11/h1,8-11H,4-7H2,2H3/t8-,9-,10-,11-/m1/s1
InChIKeyGXDXILMMDQVPRP-GWOFURMSSA-N
MW212.24 g/mol
LogP0.90
Rot. Bonds2

About (4R,4aR,8R,8aR)-8-ethyl-4-prop-2-ynyl-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxine

(4R,4aR,8R,8aR)-8-ethyl-4-prop-2-ynyl-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxine (PubChem CID 144837078) has the molecular formula C11H16O4 and a molecular weight of 212.24 g/mol. Its IUPAC name is (4R,4aR,8R,8aR)-8-ethyl-4-prop-2-ynyl-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxine.

Molecular Properties

Compound Name(4R,4aR,8R,8aR)-8-ethyl-4-prop-2-ynyl-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxine
PubChem CID144837078
Molecular FormulaC11H16O4
Molecular Weight212.24 g/mol
Exact Mass212.10
IUPAC Name(4R,4aR,8R,8aR)-8-ethyl-4-prop-2-ynyl-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxine
SMILESC#CC[C@H]1OCO[C@H]2[C@@H]1OCO[C@@H]2CC
InChIInChI=1S/C11H16O4/c1-3-5-9-11-10(14-7-13-9)8(4-2)12-6-15-11/h1,8-11H,4-7H2,2H3/t8-,9-,10-,11-/m1/s1
InChIKeyGXDXILMMDQVPRP-GWOFURMSSA-N
XLogP0.90
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.24
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze (4R,4aR,8R,8aR)-8-ethyl-4-prop-2-ynyl-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4R,4aR,8R,8aR)-8-ethyl-4-prop-2-ynyl-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxine?
The IUPAC name of (4R,4aR,8R,8aR)-8-ethyl-4-prop-2-ynyl-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxine (CID 144837078) is (4R,4aR,8R,8aR)-8-ethyl-4-prop-2-ynyl-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxine.
What is the SMILES notation for (4R,4aR,8R,8aR)-8-ethyl-4-prop-2-ynyl-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxine?
The canonical SMILES for (4R,4aR,8R,8aR)-8-ethyl-4-prop-2-ynyl-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxine is C#CC[C@H]1OCO[C@H]2[C@@H]1OCO[C@@H]2CC.
What is the InChIKey of (4R,4aR,8R,8aR)-8-ethyl-4-prop-2-ynyl-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxine?
The InChIKey is GXDXILMMDQVPRP-GWOFURMSSA-N. The full InChI is InChI=1S/C11H16O4/c1-3-5-9-11-10(14-7-13-9)8(4-2)12-6-15-11/h1,8-11H,4-7H2,2H3/t8-,9-,10-,11-/m1/s1.
What are the key properties of (4R,4aR,8R,8aR)-8-ethyl-4-prop-2-ynyl-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxine?
(4R,4aR,8R,8aR)-8-ethyl-4-prop-2-ynyl-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxine has a molecular weight of 212.24 g/mol, XLogP of 0.90, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,4aR,8R,8aR)-8-ethyl-4-prop-2-ynyl-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxine is sourced from PubChem (CID 144837078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).