4-ethyl-2-propan-2-yl-4a,5,6,7,8,8a-hexahydro-4H-benzo[d][1,3]dioxine

C13H24O2 — CID 66916406

IUPAC4-ethyl-2-propan-2-yl-4a,5,6,7,8,8a-hexahydro-4H-benzo[d][1,3]dioxine
SMILESCCC1OC(C(C)C)OC2CCCCC12
InChIInChI=1S/C13H24O2/c1-4-11-10-7-5-6-8-12(10)15-13(14-11)9(2)3/h9-13H,4-8H2,1-3H3
InChIKeyUQCUZUJGWFZECZ-UHFFFAOYSA-N
MW212.33 g/mol
LogP3.35
Rot. Bonds2

About 4-ethyl-2-propan-2-yl-4a,5,6,7,8,8a-hexahydro-4H-benzo[d][1,3]dioxine

4-ethyl-2-propan-2-yl-4a,5,6,7,8,8a-hexahydro-4H-benzo[d][1,3]dioxine (PubChem CID 66916406) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is 4-ethyl-2-propan-2-yl-4a,5,6,7,8,8a-hexahydro-4H-benzo[d][1,3]dioxine.

Molecular Properties

Compound Name4-ethyl-2-propan-2-yl-4a,5,6,7,8,8a-hexahydro-4H-benzo[d][1,3]dioxine
PubChem CID66916406
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Name4-ethyl-2-propan-2-yl-4a,5,6,7,8,8a-hexahydro-4H-benzo[d][1,3]dioxine
SMILESCCC1OC(C(C)C)OC2CCCCC12
InChIInChI=1S/C13H24O2/c1-4-11-10-7-5-6-8-12(10)15-13(14-11)9(2)3/h9-13H,4-8H2,1-3H3
InChIKeyUQCUZUJGWFZECZ-UHFFFAOYSA-N
XLogP3.35
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.33
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-ethyl-2-propan-2-yl-4a,5,6,7,8,8a-hexahydro-4H-benzo[d][1,3]dioxine with MolForge

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Related Compounds

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CID 66926207
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propane;propan-2-ylcyclopentane
CID 91615250
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CID 71338835
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CID 15440255
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ethane;2-methylpropane;8-oxabicyclo[5.1.0]octane
CID 159343049
2-ethyl-3-propan-2-yloxirane
CID 22934413
2,3-diethyl-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[b][1,4]oxazine
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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-propan-2-yl-4a,5,6,7,8,8a-hexahydro-4H-benzo[d][1,3]dioxine?
The IUPAC name of 4-ethyl-2-propan-2-yl-4a,5,6,7,8,8a-hexahydro-4H-benzo[d][1,3]dioxine (CID 66916406) is 4-ethyl-2-propan-2-yl-4a,5,6,7,8,8a-hexahydro-4H-benzo[d][1,3]dioxine.
What is the SMILES notation for 4-ethyl-2-propan-2-yl-4a,5,6,7,8,8a-hexahydro-4H-benzo[d][1,3]dioxine?
The canonical SMILES for 4-ethyl-2-propan-2-yl-4a,5,6,7,8,8a-hexahydro-4H-benzo[d][1,3]dioxine is CCC1OC(C(C)C)OC2CCCCC12.
What is the InChIKey of 4-ethyl-2-propan-2-yl-4a,5,6,7,8,8a-hexahydro-4H-benzo[d][1,3]dioxine?
The InChIKey is UQCUZUJGWFZECZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O2/c1-4-11-10-7-5-6-8-12(10)15-13(14-11)9(2)3/h9-13H,4-8H2,1-3H3.
What are the key properties of 4-ethyl-2-propan-2-yl-4a,5,6,7,8,8a-hexahydro-4H-benzo[d][1,3]dioxine?
4-ethyl-2-propan-2-yl-4a,5,6,7,8,8a-hexahydro-4H-benzo[d][1,3]dioxine has a molecular weight of 212.33 g/mol, XLogP of 3.35, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-propan-2-yl-4a,5,6,7,8,8a-hexahydro-4H-benzo[d][1,3]dioxine is sourced from PubChem (CID 66916406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).